3-hydroxy-5-[(3-methylphenyl)methylsulfanyl]piperidin-2-one

C13H17NO2S — CID 121493733

IUPAC3-hydroxy-5-[(3-methylphenyl)methylsulfanyl]piperidin-2-one
SMILESCc1cccc(CSC2CNC(=O)C(O)C2)c1
InChIInChI=1S/C13H17NO2S/c1-9-3-2-4-10(5-9)8-17-11-6-12(15)13(16)14-7-11/h2-5,11-12,15H,6-8H2,1H3,(H,14,16)
InChIKeyIAOYDOBIIPGLDB-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.48
Rot. Bonds3

About 3-hydroxy-5-[(3-methylphenyl)methylsulfanyl]piperidin-2-one

3-hydroxy-5-[(3-methylphenyl)methylsulfanyl]piperidin-2-one (PubChem CID 121493733) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-hydroxy-5-[(3-methylphenyl)methylsulfanyl]piperidin-2-one.

Molecular Properties

Compound Name3-hydroxy-5-[(3-methylphenyl)methylsulfanyl]piperidin-2-one
PubChem CID121493733
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name3-hydroxy-5-[(3-methylphenyl)methylsulfanyl]piperidin-2-one
SMILESCc1cccc(CSC2CNC(=O)C(O)C2)c1
InChIInChI=1S/C13H17NO2S/c1-9-3-2-4-10(5-9)8-17-11-6-12(15)13(16)14-7-11/h2-5,11-12,15H,6-8H2,1H3,(H,14,16)
InChIKeyIAOYDOBIIPGLDB-UHFFFAOYSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-5-[(3-methylphenyl)methylsulfanyl]piperidin-2-one 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-Hydroxy-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]piperidin-2-one
CID 121493737
5-[(4-Fluorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one
CID 121493740
5-[(3,4-Difluorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one
CID 121493746
5-[(3-Fluorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one
CID 121493756
5-Benzylsulfanyl-3-hydroxypiperidin-2-one
CID 78024325
5-Benzylsulfonyl-3-hydroxypiperidin-2-one
CID 78024336
5-[(4-Chlorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one
CID 121493731
3-Hydroxy-5-[(4-methylphenyl)methylsulfanyl]piperidin-2-one
CID 121493732
5-[(3-Chlorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one
CID 121493734
5-[(2-Chlorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one
CID 121493736
3-Hydroxy-5-[(2-methylphenyl)methylsulfanyl]piperidin-2-one
CID 121493738
5-[(4-Ethylphenyl)methylsulfanyl]-3-hydroxypiperidin-2-one
CID 121493741

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-[(3-methylphenyl)methylsulfanyl]piperidin-2-one?
The IUPAC name of 3-hydroxy-5-[(3-methylphenyl)methylsulfanyl]piperidin-2-one (CID 121493733) is 3-hydroxy-5-[(3-methylphenyl)methylsulfanyl]piperidin-2-one.
What is the SMILES notation for 3-hydroxy-5-[(3-methylphenyl)methylsulfanyl]piperidin-2-one?
The canonical SMILES for 3-hydroxy-5-[(3-methylphenyl)methylsulfanyl]piperidin-2-one is Cc1cccc(CSC2CNC(=O)C(O)C2)c1.
What is the InChIKey of 3-hydroxy-5-[(3-methylphenyl)methylsulfanyl]piperidin-2-one?
The InChIKey is IAOYDOBIIPGLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-9-3-2-4-10(5-9)8-17-11-6-12(15)13(16)14-7-11/h2-5,11-12,15H,6-8H2,1H3,(H,14,16).
What are the key properties of 3-hydroxy-5-[(3-methylphenyl)methylsulfanyl]piperidin-2-one?
3-hydroxy-5-[(3-methylphenyl)methylsulfanyl]piperidin-2-one has a molecular weight of 251.35 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-[(3-methylphenyl)methylsulfanyl]piperidin-2-one is sourced from PubChem (CID 121493733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).