3-(3-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide

C13H19ClN2OS — CID 62647702

IUPAC3-(3-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(C)(CSc1cccc(Cl)c1)C(N)=O
InChIInChI=1S/C13H19ClN2OS/c1-9(2)16-13(3,12(15)17)8-18-11-6-4-5-10(14)7-11/h4-7,9,16H,8H2,1-3H3,(H2,15,17)
InChIKeyBDLPZQKSQNAZNG-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.67
Rot. Bonds6

About 3-(3-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide

3-(3-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide (PubChem CID 62647702) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide
PubChem CID62647702
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name3-(3-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(C)(CSc1cccc(Cl)c1)C(N)=O
InChIInChI=1S/C13H19ClN2OS/c1-9(2)16-13(3,12(15)17)8-18-11-6-4-5-10(14)7-11/h4-7,9,16H,8H2,1-3H3,(H2,15,17)
InChIKeyBDLPZQKSQNAZNG-UHFFFAOYSA-N
XLogP2.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(3-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanoate
CID 55101563
3-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpropanamide
CID 62647394
2-amino-3-(3-chlorophenyl)sulfanyl-2-methylpropanoic acid
CID 62647550
2-(3-chlorophenyl)sulfanylacetamide
CID 62647381
3-(3-chlorophenyl)sulfanyl-2-methyl-2-(methylamino)propan-1-ol
CID 64807962
2-(3-chloroanilino)-2,4-dimethylpentanamide
CID 54892158
ethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanoate
CID 63466916
2-methyl-3-(4-methylpyrimidin-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide
CID 62268407
methyl 2-amino-4-(3-chlorophenyl)sulfanylbutanoate
CID 63034938
2-amino-3-(3-chlorophenyl)sulfanylpropanoic acid
CID 62647718
ethyl 4-(3-chlorophenyl)sulfanyl-2-methyl-2-(methylamino)butanoate
CID 62645802
[1-(3-chlorophenyl)sulfanyl-3,3-dimethylbutan-2-yl]hydrazine
CID 105237970

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide?
The IUPAC name of 3-(3-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide (CID 62647702) is 3-(3-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 3-(3-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide is CC(C)NC(C)(CSc1cccc(Cl)c1)C(N)=O.
What is the InChIKey of 3-(3-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide?
The InChIKey is BDLPZQKSQNAZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-9(2)16-13(3,12(15)17)8-18-11-6-4-5-10(14)7-11/h4-7,9,16H,8H2,1-3H3,(H2,15,17).
What are the key properties of 3-(3-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide?
3-(3-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide has a molecular weight of 286.83 g/mol, XLogP of 2.67, 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-methyl-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 62647702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).