1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide

C16H24N2O3S — CID 47001087

IUPAC1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NCc2cccc(C)c2)C1
InChIInChI=1S/C16H24N2O3S/c1-3-22(20,21)18-9-5-8-15(12-18)16(19)17-11-14-7-4-6-13(2)10-14/h4,6-7,10,15H,3,5,8-9,11-12H2,1-2H3,(H,17,19)
InChIKeyIHHDVWGFZATQKV-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.67
Rot. Bonds5

About 1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide

1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 47001087) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID47001087
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NCc2cccc(C)c2)C1
InChIInChI=1S/C16H24N2O3S/c1-3-22(20,21)18-9-5-8-15(12-18)16(19)17-11-14-7-4-6-13(2)10-14/h4,6-7,10,15H,3,5,8-9,11-12H2,1-2H3,(H,17,19)
InChIKeyIHHDVWGFZATQKV-UHFFFAOYSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide 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

(3R)-1-benzylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92642299
(3R)-N-[(3-methylphenyl)methyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 94016222
(3S)-1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94785162
(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92642351
N-[(3-methylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 20887286
1-(2,5-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 133254889
(3R)-1-ethylsulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 40515569
(3S)-1-ethylsulfonyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 125074145
1-(2,5-dichlorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 133159708
2-[3-[[(1-ethylsulfonylpiperidine-3-carbonyl)amino]methyl]phenoxy]acetic acid
CID 119246551
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 110335780
(3S)-1-ethylsulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 95196197

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide (CID 47001087) is 1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide is CCS(=O)(=O)N1CCCC(C(=O)NCc2cccc(C)c2)C1.
What is the InChIKey of 1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is IHHDVWGFZATQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-3-22(20,21)18-9-5-8-15(12-18)16(19)17-11-14-7-4-6-13(2)10-14/h4,6-7,10,15H,3,5,8-9,11-12H2,1-2H3,(H,17,19).
What are the key properties of 1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 47001087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).