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Overview of CAS 154127-42-1

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(4S)-4-hydroxy-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
PharmaCompass
(4S)-4-hydroxy-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
Also known as: 154127-42-1, (s)-4-hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2h-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide, (s)-3,4-dihydro-4-hydroxy-2-(3-methoxypropyl)-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide, (4s)-1,1-dioxide-3,4-dihydro-4-hydroxy-2-(3-methoxypropyl)-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide, J-502439, (4s)-4-hydroxy-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
Molecular Formula
C10H16N2O6S3
Molecular Weight
356.426  g/mol
InChI Key
UHIWBQIWXWWDKT-MRVPVSSYSA-N

1 2D Structure

(4S)-4-hydroxy-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4S)-4-hydroxy-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
2.1.2 InChI
InChI=1S/C10H16N2O6S3/c1-18-4-2-3-12-6-8(13)7-5-9(20(11,14)15)19-10(7)21(12,16)17/h5,8,13H,2-4,6H2,1H3,(H2,11,14,15)/t8-/m1/s1
2.1.3 InChI Key
UHIWBQIWXWWDKT-MRVPVSSYSA-N
2.1.4 Canonical SMILES
COCCCN1CC(C2=C(S1(=O)=O)SC(=C2)S(=O)(=O)N)O
2.1.5 Isomeric SMILES
COCCCN1C[C@H](C2=C(S1(=O)=O)SC(=C2)S(=O)(=O)N)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 154127-42-1

2. (s)-4-hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2h-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide

3. (s)-3,4-dihydro-4-hydroxy-2-(3-methoxypropyl)-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide

4. (4s)-1,1-dioxide-3,4-dihydro-4-hydroxy-2-(3-methoxypropyl)-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide

5. J-502439

6. (4s)-4-hydroxy-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide

7. (s)-3,4-dihydro-4-hydroxy-2-(3-methoxypropyl)-2h-thieno(3,2-e)-1,2-thiazine-6-sulfonamide 1,1-dioxide

8. S-3,4-dihydro-4-hydroxy-2-(3-methoxypropyl)2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide1,1-dioxide

9. Xide

10. Ak-93442

11. Brinzolamide Related Compound A

12. Schembl2631258

13. Ctk4c8122

14. Dtxsid30570261

15. C10h16n2o6s3

16. Anw-44505

17. Zinc22002682

18. Akos015897318

19. Acn-031794

20. Rl01975

21. Ac-22720

22. Acm154127421

23. Aj-80195

24. As-18650

25. Bc221060

26. Sc-25082

27. Ax8167410

28. Tc-020063

29. Cs-0085203

30. Ft-0652537

31. St24026605

32. 127d421

33. I09-0606

34. I09-0609

35. (s)-3,4-dihydro-4-hydroxy-2-(3-methoxypropyl)-2h-t

36. (4s)-3,4-dihydro-4-hydroxy-2-(3-methoxypropyl)-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide

37. (4s)-4-hydroxy-2-(3-methoxypropyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-thieno[3,2-e][1,2]thiazine-6-sulfonamide

38. (s)-2-(3-methoxypropyl)-3,4-dihydro-2h-thieno[3,2-e][1,2]thiazine-4-ol-6-sulfonamide-1,1-dioxide

39. (s)-3,4-dihydro-4-hydroxy-2-(3-methoxypropyl)-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide

40. (s)-4-hydroxy-2-(3-methoxy-propyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda*6*-thieno[3,2-e][1,2]thiazine-6-sulfonic Acid Amide

41. (s)-4-hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2h-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dio

42. (s)-4-hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2h-thieno[3,2-e][1,2]thiazine-6-sulfonamide1,1-dioxide

43. 2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide, 3,4-dihydro-4-hydroxy-2-(3-methoxypropyl)-, 1,1-dioxide, (4s)-

44. 2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide,3,4-dihydro-4-hydroxy-2-(3-methoxypropyl)-, 1,1-dioxide, (4s)-

45. 3,4-dihydro-4(s)-hydroxy-2-(3-methoxypropyl)-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide

46. 4-hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2h-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide

2.3 Create Date
2007-02-09
3 Chemical and Physical Properties
Molecular Weight 356.426 g/mol
Molecular Formula C10H16N2O6S3
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass356.017 g/mol
Monoisotopic Mass356.017 g/mol
Topological Polar Surface Area172 A^2
Heavy Atom Count21
Formal Charge0
Complexity567
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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