3-(3,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide

C16H22N2O2S — CID 62490585

IUPAC3-(3,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide
SMILESCc1ccc(SCCC(=O)NC2CCC(=O)NC2)cc1C
InChIInChI=1S/C16H22N2O2S/c1-11-3-5-14(9-12(11)2)21-8-7-16(20)18-13-4-6-15(19)17-10-13/h3,5,9,13H,4,6-8,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyONIQXCCJHKDXLR-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.18
Rot. Bonds5

About 3-(3,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide

3-(3,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide (PubChem CID 62490585) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide
PubChem CID62490585
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name3-(3,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide
SMILESCc1ccc(SCCC(=O)NC2CCC(=O)NC2)cc1C
InChIInChI=1S/C16H22N2O2S/c1-11-3-5-14(9-12(11)2)21-8-7-16(20)18-13-4-6-15(19)17-10-13/h3,5,9,13H,4,6-8,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyONIQXCCJHKDXLR-UHFFFAOYSA-N
XLogP2.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-difluorophenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide
CID 62896998
3-(3,4-dimethylphenyl)sulfanyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389031
N-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 119477664
3-(3,5-dimethylphenoxy)-N-(6-oxopiperidin-3-yl)propanamide
CID 62898121
4-(3-methylphenoxy)-N-(6-oxopiperidin-3-yl)butanamide
CID 62490445
3-chloro-N-(6-oxopiperidin-3-yl)propanamide
CID 63662078
3-(3,4-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide
CID 120574312
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)acetamide
CID 62490065
3,6-dimethyl-2-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 103429074
2,2-dimethyl-N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]propanamide
CID 62897735
2-methyl-N-[(3R)-6-oxopiperidin-3-yl]benzamide
CID 70955192
3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63662752

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide?
The IUPAC name of 3-(3,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide (CID 62490585) is 3-(3,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide is Cc1ccc(SCCC(=O)NC2CCC(=O)NC2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide?
The InChIKey is ONIQXCCJHKDXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11-3-5-14(9-12(11)2)21-8-7-16(20)18-13-4-6-15(19)17-10-13/h3,5,9,13H,4,6-8,10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-(3,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide?
3-(3,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide has a molecular weight of 306.43 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide is sourced from PubChem (CID 62490585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).