CAS 147962-41-2

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Also known as: 147962-41-2, Propylsulfamide, 1-(sulfamoylamino)propane, Sulfamide, n-propyl-, Sulfamide, propyl-, Propyl-sulfamide

Molecular Formula

C₃H₁₀N₂O₂S

Molecular Weight

138.19 g/mol

InChI Key

FEYGBGVBTKYFOF-UHFFFAOYSA-N

1 2D Structure

CAS 147962-41-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(sulfamoylamino)propane

2.1.2 InChI

InChI=1S/C3H10N2O2S/c1-2-3-5-8(4,6)7/h5H,2-3H2,1H3,(H2,4,6,7)

2.1.3 InChI Key

FEYGBGVBTKYFOF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCNS(=O)(=O)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 147962-41-2

2. Propylsulfamide

3. 1-(sulfamoylamino)propane

4. Sulfamide, N-propyl-

5. Sulfamide, Propyl-

6. Propyl-sulfamide

7. N-propyl-sulfamide

8. Propyl Sulfuric Diamide

9. N-propylsulfuric Diamide

10. Schembl42318

11. Amy40359

12. Bcp09330

13. Cs-m1494

14. Xfa96241

15. Mfcd12755184

16. Zinc34195342

17. Akos024462413

18. Ds-7778

19. Ac-29731

20. Da-44188

21. Ft-0699977

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₃H₁₀N₂O₂S
Molecular Weight	138.19 g/mol
XLogP3	-0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	138.04629874 g/mol
Monoisotopic Mass	138.04629874 g/mol
Topological Polar Surface Area	80.6 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	134
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1