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CAS 112101-81-2
PharmaCompass
CAS 112101-81-2
Also known as: 112101-81-2, R-(-)-5-(2-aminopropyl)-2-methoxybenzenesulfonamide, R-(-)-5-(2-amino-propyl)-2-methoxy-benzenesulfonamide, (r)-(-)-5-(2-aminopropyl)-2-methoxybenzenesulfonamide, (r)-5-(2-aminopropyl)-2-methoxy benzene sulfonamide, 5-[(2r)-2-aminopropyl]-2-methoxybenzenesulfonamide
Molecular Formula
C10H16N2O3S
Molecular Weight
244.309  g/mol
InChI Key
IORITYIZDHJCGT-SSDOTTSWSA-N

1 2D Structure

CAS 112101-81-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-[(2R)-2-aminopropyl]-2-methoxybenzenesulfonamide
2.1.2 InChI
InChI=1S/C10H16N2O3S/c1-7(11)5-8-3-4-9(15-2)10(6-8)16(12,13)14/h3-4,6-7H,5,11H2,1-2H3,(H2,12,13,14)/t7-/m1/s1
2.1.3 InChI Key
IORITYIZDHJCGT-SSDOTTSWSA-N
2.1.4 Canonical SMILES
CC(CC1=CC(=C(C=C1)OC)S(=O)(=O)N)N
2.1.5 Isomeric SMILES
C[C@H](CC1=CC(=C(C=C1)OC)S(=O)(=O)N)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 112101-81-2

2. R-(-)-5-(2-aminopropyl)-2-methoxybenzenesulfonamide

3. R-(-)-5-(2-amino-propyl)-2-methoxy-benzenesulfonamide

4. (r)-(-)-5-(2-aminopropyl)-2-methoxybenzenesulfonamide

5. (r)-5-(2-aminopropyl)-2-methoxy Benzene Sulfonamide

6. 5-[(2r)-2-aminopropyl]-2-methoxybenzenesulfonamide

7. Ak-29775

8. Benzenesulfonamide,5-[(2r)-2-aminopropyl]-2-methoxy-

9. 5-[(r)-(2-aminopropyl)]-2-methoxybenzenesulfonamide Hydrochloride

10. Pubchem23381

11. Schembl1412238

12. Jsp000921

13. Ctk4a7657

14. Ks-00000yvb

15. Iorityizdhjcgt-ssdottswsa-n

16. Molport-019-918-500

17. Anw-52386

18. Ca-588

19. Mfcd07782137

20. Zinc21989067

21. Akos015900167

22. Ds-0700

23. Rp28661

24. Aminopropyl)-2-methoxybenzene Sulfonamide

25. Aj-79616

26. At-20324

27. Br-29775

28. Or006335

29. Sc-47445

30. Ab0018075

31. Ax8000296

32. Kb-209377

33. St2413781

34. Tr-002369

35. Ft-0642738

36. 101r812

37. C-14823

38. 2-methoxy-5-[(r)-2-aminopropyl]benzenesulfonamide

39. I14-8970

40. J-524215

41. I14-10558

42. R-(-)-5-(2-amino-propyl)-2-methoxy-benzenesulfonam

43. 5-[(2r)-2-aminopropyl]-2-methoxybenzene-1-sulfonamide

44. (r)-(-)-5-(2-aminopropyl)-2-methoxy-benzenesulfonamide

45. (r)-(-)-5-(2-aminopropyl)-2-methoxybenzene Sulfonamide

46. (r)-(-)-5-[2(amino-2-methyl)ethyl]-2-methoxybenzenesulfonamide

47. R-(-)-5-[2(2-amino-2-methyl)ethyl]-2-methoxybenzene Sulfonamide

48. R-(-)-5-[2(2-amino-2-methyl)ethyl]-2-methoxybenzenesulfonamide

49. Ra(-)-5-[2(2-amino-2-methyl)ethyl]-2-methoxybenzenesulfonamide

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 244.309 g/mol
Molecular Formula C10H16N2O3S
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass244.088 g/mol
Monoisotopic Mass244.088 g/mol
Topological Polar Surface Area104 A^2
Heavy Atom Count16
Formal Charge0
Complexity313
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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