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Also known as: 112101-81-2, R-(-)-5-(2-amino-propyl)-2-methoxy-benzenesulfonamide, R-(-)-5-(2-aminopropyl)-2-methoxybenzenesulfonamide, (r)-5-(2-aminopropyl)-2-methoxybenzenesulfonamide, 5-[(2r)-2-aminopropyl]-2-methoxybenzenesulfonamide, 67x36a2xme
Molecular Formula
C10H16N2O3S
Molecular Weight
244.31  g/mol
InChI Key
IORITYIZDHJCGT-SSDOTTSWSA-N
FDA UNII
67X36A2XME

CAS 112101-81-2
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 Other Identifiers
2.2.1 UNII
67X36A2XME
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 112101-81-2

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

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

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

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

6. 67x36a2xme

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

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

9. Benzenesulfonamide, 5-((2r)-2-aminopropyl)-2-methoxy-

10. Benzenesulfonamide, 5-(2-aminopropyl)-2-methoxy-, (r)-

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

12. Unii-67x36a2xme

13. Schembl1412238

14. Dtxsid10920664

15. Amy25472

16. Mfcd07782137

17. Zinc21989067

18. Akos015900167

19. Ds-0700

20. Aminopropyl)-2-methoxybenzene Sulfonamide

21. Tamsulosin Hydrochloride Impurity B [ep]

22. A2233

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

24. 101r812

25. 5-(2-aminopropyl)-2-methoxybenzene-1-sulfonamide

26. 2-methoxy-5-[(r)-2-aminopropyl]benzenesulfonamide

27. J-524215

28. 5-[(2r)-2-aminopropyl]-2-methoxybenzene-1-sulfonamide

29. R-(-)-5-(2-amino-propyl)-2-methoxybenzenesulfonamide

30. Tamsulosin Hydrochloride Impurity B [ep Impurity]

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

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

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

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 244.31 g/mol
Molecular Formula C10H16N2O3S
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass244.08816355 g/mol
Monoisotopic Mass244.08816355 g/mol
Topological Polar Surface Area104 Ų
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

BUILDING BLOCK

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