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Overview

Client Email Product
147200-03-1
PharmaCompass
147200-03-1
Also known as: 147200-03-1, N-[(4s,6s)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4h-thieno[2,3-b]thiopyran-4-yl]acetamide, (4s)-4-acetamide-5,6-dihydro-6-methyl-2-sulfonamide-thio[2,3-b]thiopyran7,7dioxide, Mqrctnzvqvrcrd-xncjuzbtsa-n, Ak-94294, Schembl12315837
Molecular Formula
C10H14N2O5S3
Molecular Weight
338.4  g/mol
InChI Key
MQRCTNZVQVRCRD-XNCJUZBTSA-N

1 2D Structure

147200-03-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide
2.1.2 InChI
InChI=1S/C10H14N2O5S3/c1-5-3-8(12-6(2)13)7-4-9(20(11,16)17)18-10(7)19(5,14)15/h4-5,8H,3H2,1-2H3,(H,12,13)(H2,11,16,17)/t5-,8-/m0/s1
2.1.3 InChI Key
MQRCTNZVQVRCRD-XNCJUZBTSA-N
2.1.4 Canonical SMILES
CC1CC(C2=C(S1(=O)=O)SC(=C2)S(=O)(=O)N)NC(=O)C
2.1.5 Isomeric SMILES
C[C@H]1C[C@@H](C2=C(S1(=O)=O)SC(=C2)S(=O)(=O)N)NC(=O)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 147200-03-1

2. N-[(4s,6s)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4h-thieno[2,3-b]thiopyran-4-yl]acetamide

3. (4s)-4-acetamide-5,6-dihydro-6-methyl-2-sulfonamide-thio[2,3-b]thiopyran7,7dioxide

4. Mqrctnzvqvrcrd-xncjuzbtsa-n

5. Ak-94294

6. Schembl12315837

7. Ctk8b6202

8. Dtxsid40440163

9. C10h14n2o5s3

10. Bcp11929

11. Ks-00000q1w

12. Anw-52928

13. Mfcd12407171

14. Zinc38883796

15. Akos015898774

16. Ac-6912

17. An-9525

18. Rl01861

19. Aj-97070

20. Ds-17941

21. Ax8231641

22. Db-027159

23. Tc-141673

24. Ft-0771878

25. St24025531

26. X6141

27. 200m031

28. I09-1526

29. J-501481

30. N-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4h-thieno[2,3-b]thiopyran-4-yl]acetamide

31. Acetamide, N-[(4s,6s)-2-(aminosulfonyl)-5,6-dihydro-6-methyl-7,7-dioxido-4h-thieno[2,3-b]thiopyran-4-yl]-

32. N-[(4s,6s)-6-methyl-7,7-dioxo-2-sulfamoyl-4,5,6,7-tetrahydro-7lambda~6~-thieno[2,3-b]thiopyran-4-yl]acetamide

33. Trans-(6s)-4-acetylamino-5,6-dihydro-6-methyl-7,7-dioxo-4h-thieno[2,3-b]thiopyran-2-sulfonamide

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 338.4 g/mol
Molecular Formula C10H14N2O5S3
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass338.006485 g/mol
Monoisotopic Mass338.006485 g/mol
Topological Polar Surface Area168
Heavy Atom Count20
Formal Charge0
Complexity604
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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