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2D Structure
Also known as: 112101-75-4, 5[(r)-(2-aminopropyl)]-2-methoxybenzenesulfonamide hydrochloride, (r)-(+)-5-(2-aminopropyl)-2-methoxybenzene sulfonamide hydrochloride, 5-[(2r)-2-aminopropyl]-2-methoxybenzenesulfonamide;hydrochloride, (r)-(-)-5-(2-aminopropyl)-2-methoxybenzenesulphonamide hcl, 5-[(2r)-2-aminopropyl]-2-methoxy-benzenesulfonamide hydrochloride
Molecular Formula
C10H17ClN2O3S
Molecular Weight
280.77  g/mol
InChI Key
KYRRNJIOCLALJQ-OGFXRTJISA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-[(2R)-2-aminopropyl]-2-methoxybenzenesulfonamide;hydrochloride
2.1.2 InChI
InChI=1S/C10H16N2O3S.ClH/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);1H/t7-;/m1./s1
2.1.3 InChI Key
KYRRNJIOCLALJQ-OGFXRTJISA-N
2.1.4 Canonical SMILES
CC(CC1=CC(=C(C=C1)OC)S(=O)(=O)N)N.Cl
2.1.5 Isomeric SMILES
C[C@H](CC1=CC(=C(C=C1)OC)S(=O)(=O)N)N.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 112101-75-4

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

3. (r)-(+)-5-(2-aminopropyl)-2-methoxybenzene Sulfonamide Hydrochloride

4. 5-[(2r)-2-aminopropyl]-2-methoxybenzenesulfonamide;hydrochloride

5. (r)-(-)-5-(2-aminopropyl)-2-methoxybenzenesulphonamide Hcl

6. 5-[(2r)-2-aminopropyl]-2-methoxy-benzenesulfonamide Hydrochloride

7. Schembl3939257

8. (r)-(+)-5-(2-aminopropyl)-2-methoxybenzene Sulfonamide

9. Dtxsid40524856

10. (r)-(+)-5-(2-aminopropyl)-2-methoxybenzenesulfonamidehydrochloride

11. 5-[(r)-(2-aminopropyl)]-2-methoxybenzenesulfonamide Hydrochloride

12. Akos015901415

13. Ac-5618

14. Cs-0440941

15. A1-00091

16. J-002705

17. J-002706

18. (r)-5-(2-aminopropyl)-2-methoxybenzenesulfonamidehydrochloride

19. Benzenesulfonamide,5-[(2r)-2-aminopropyl]-2-methoxy-, Hydrochloride (1:1)

20. Benzenesulfonamide,5-[(2r)-2-aminopropyl]-2-methoxy-,hydrochloride(1:1)

21. 5-[(2r)-2-aminopropyl]-2-methoxybenzene-1-sulfonamide--hydrogen Chloride (1/1)

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 280.77 g/mol
Molecular Formula C10H17ClN2O3S
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass280.0648413 g/mol
Monoisotopic Mass280.0648413 g/mol
Topological Polar Surface Area104 Ų
Heavy Atom Count17
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 Count2