(3S)-1-(2-methylsulfanylphenyl)-6-oxopiperidine-3-carboxamide

C13H16N2O2S — CID 172908586

IUPAC(3S)-1-(2-methylsulfanylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCSc1ccccc1N1C[C@@H](C(N)=O)CCC1=O
InChIInChI=1S/C13H16N2O2S/c1-18-11-5-3-2-4-10(11)15-8-9(13(14)17)6-7-12(15)16/h2-5,9H,6-8H2,1H3,(H2,14,17)/t9-/m0/s1
InChIKeyXFDPKKNIFJSWGV-VIFPVBQESA-N
MW264.35 g/mol
LogP1.64
Rot. Bonds3

About (3S)-1-(2-methylsulfanylphenyl)-6-oxopiperidine-3-carboxamide

(3S)-1-(2-methylsulfanylphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 172908586) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is (3S)-1-(2-methylsulfanylphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methylsulfanylphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID172908586
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name(3S)-1-(2-methylsulfanylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCSc1ccccc1N1C[C@@H](C(N)=O)CCC1=O
InChIInChI=1S/C13H16N2O2S/c1-18-11-5-3-2-4-10(11)15-8-9(13(14)17)6-7-12(15)16/h2-5,9H,6-8H2,1H3,(H2,14,17)/t9-/m0/s1
InChIKeyXFDPKKNIFJSWGV-VIFPVBQESA-N
XLogP1.64
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-(2-methylsulfanylphenyl)-6-oxopiperidine-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

4-chloro-1-(2-methylsulfanylphenyl)pyrrolidin-2-one
CID 168687946
1-(2-cyclopropylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698149
1-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62301551
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 66899395
1-(2-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696654
5-oxo-1-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 168696074
1-[2-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50882349
1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697394
1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698402
(1R,4S,6S)-2-[2-(2-methylsulfanylphenyl)acetyl]-2-azabicyclo[4.1.0]heptane-4-carboxamide
CID 172908621
(3S)-N'-hydroxy-6-oxo-1-phenylpiperidine-3-carboximidamide
CID 125449083

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methylsulfanylphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methylsulfanylphenyl)-6-oxopiperidine-3-carboxamide (CID 172908586) is (3S)-1-(2-methylsulfanylphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methylsulfanylphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methylsulfanylphenyl)-6-oxopiperidine-3-carboxamide is CSc1ccccc1N1C[C@@H](C(N)=O)CCC1=O.
What is the InChIKey of (3S)-1-(2-methylsulfanylphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is XFDPKKNIFJSWGV-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-18-11-5-3-2-4-10(11)15-8-9(13(14)17)6-7-12(15)16/h2-5,9H,6-8H2,1H3,(H2,14,17)/t9-/m0/s1.
What are the key properties of (3S)-1-(2-methylsulfanylphenyl)-6-oxopiperidine-3-carboxamide?
(3S)-1-(2-methylsulfanylphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methylsulfanylphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 172908586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).