3-(benzenesulfinyl)-4-hydroxy-6-methyl-1H-pyridin-2-one

C12H11NO3S — CID 54704564

IUPAC3-(benzenesulfinyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
SMILESCc1cc(O)c(S(=O)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C12H11NO3S/c1-8-7-10(14)11(12(15)13-8)17(16)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15)
InChIKeyAKOPCDGXHGTUHZ-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.56
Rot. Bonds2

About 3-(benzenesulfinyl)-4-hydroxy-6-methyl-1H-pyridin-2-one

3-(benzenesulfinyl)-4-hydroxy-6-methyl-1H-pyridin-2-one (PubChem CID 54704564) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 3-(benzenesulfinyl)-4-hydroxy-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(benzenesulfinyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
PubChem CID54704564
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name3-(benzenesulfinyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
SMILESCc1cc(O)c(S(=O)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C12H11NO3S/c1-8-7-10(14)11(12(15)13-8)17(16)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15)
InChIKeyAKOPCDGXHGTUHZ-UHFFFAOYSA-N
XLogP1.56
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(benzenesulfinyl)-4-hydroxy-6-methyl-1H-pyridin-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

4,6-dimethyl-3-(phenylsulfonyl)-2(1H)-pyridinone
CID 2766974
3-[(4-chlorophenyl)sulfanyl]-4-hydroxy-6-methylpyridin-2(1H)-one
CID 54694338
3-[(2-fluorophenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone
CID 1483835
6-(benzenesulfonyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one
CID 135038968
3-(4-Fluorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one
CID 135045712
4-Hydroxy-1,6-dimethyl-3-phenylthiohydropyridin-2-one
CID 54699340
3-(benzenesulfonyl)-6-ethyl-4-methyl-1H-pyridin-2-one
CID 13837917
3-(benzenesulfonyl)-4-methyl-6-propan-2-yl-1H-pyridin-2-one
CID 13837919
6-(benzenesulfonylmethyl)-3-hydroxy-4-methyl-1H-pyridin-2-one
CID 66803295
N-[3-(benzenesulfonyl)buta-1,3-dien-2-yl]acetamide
CID 10610761
N-[3-(benzenesulfinyl)buta-1,3-dien-2-yl]acetamide
CID 10823655
3-(benzenesulfonyl)-6-propan-2-yl-1H-pyridin-2-one
CID 15447159

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfinyl)-4-hydroxy-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(benzenesulfinyl)-4-hydroxy-6-methyl-1H-pyridin-2-one (CID 54704564) is 3-(benzenesulfinyl)-4-hydroxy-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(benzenesulfinyl)-4-hydroxy-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(benzenesulfinyl)-4-hydroxy-6-methyl-1H-pyridin-2-one is Cc1cc(O)c(S(=O)c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 3-(benzenesulfinyl)-4-hydroxy-6-methyl-1H-pyridin-2-one?
The InChIKey is AKOPCDGXHGTUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-8-7-10(14)11(12(15)13-8)17(16)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15).
What are the key properties of 3-(benzenesulfinyl)-4-hydroxy-6-methyl-1H-pyridin-2-one?
3-(benzenesulfinyl)-4-hydroxy-6-methyl-1H-pyridin-2-one has a molecular weight of 249.29 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfinyl)-4-hydroxy-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 54704564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).