3-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpropanamide

C13H17ClN2OS — CID 62647394

IUPAC3-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpropanamide
SMILESCC(CSc1cccc(Cl)c1)(NC1CC1)C(N)=O
InChIInChI=1S/C13H17ClN2OS/c1-13(12(15)17,16-10-5-6-10)8-18-11-4-2-3-9(14)7-11/h2-4,7,10,16H,5-6,8H2,1H3,(H2,15,17)
InChIKeyARXSLAYJWZXEAR-UHFFFAOYSA-N
MW284.81 g/mol
LogP2.43
Rot. Bonds6

About 3-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpropanamide

3-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpropanamide (PubChem CID 62647394) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpropanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpropanamide
PubChem CID62647394
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC Name3-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpropanamide
SMILESCC(CSc1cccc(Cl)c1)(NC1CC1)C(N)=O
InChIInChI=1S/C13H17ClN2OS/c1-13(12(15)17,16-10-5-6-10)8-18-11-4-2-3-9(14)7-11/h2-4,7,10,16H,5-6,8H2,1H3,(H2,15,17)
InChIKeyARXSLAYJWZXEAR-UHFFFAOYSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide
CID 62647702
4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 64806302
5-(3-bromophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpentanamide
CID 62804810
2-amino-3-(3-chlorophenyl)sulfanyl-2-methylpropanoic acid
CID 62647550
methyl 3-(3-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanoate
CID 55101563
4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylbutanenitrile
CID 62647390
4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)butanamide
CID 63035769
3-(3-chlorophenyl)sulfanyl-2-methyl-2-(methylamino)propan-1-ol
CID 64807962
2-(cyclopropylamino)-2-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 62850901
methyl 3-(3-chlorophenyl)sulfanyl-2-cyclopropyl-2-(methylamino)propanoate
CID 63919465
2-(3-chlorophenyl)sulfanylacetamide
CID 62647381
2-(cyclopropylamino)-4-(3,4-difluorophenyl)sulfanyl-2-methylpentanamide
CID 64709642

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpropanamide?
The IUPAC name of 3-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpropanamide (CID 62647394) is 3-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpropanamide.
What is the SMILES notation for 3-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpropanamide?
The canonical SMILES for 3-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpropanamide is CC(CSc1cccc(Cl)c1)(NC1CC1)C(N)=O.
What is the InChIKey of 3-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpropanamide?
The InChIKey is ARXSLAYJWZXEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c1-13(12(15)17,16-10-5-6-10)8-18-11-4-2-3-9(14)7-11/h2-4,7,10,16H,5-6,8H2,1H3,(H2,15,17).
What are the key properties of 3-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpropanamide?
3-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpropanamide has a molecular weight of 284.81 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpropanamide is sourced from PubChem (CID 62647394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).