4-hydroxy-1,6-dimethyl-3-(3-methylphenyl)sulfanylpyridin-2-one

C14H15NO2S — CID 135045684

IUPAC4-hydroxy-1,6-dimethyl-3-(3-methylphenyl)sulfanylpyridin-2-one
SMILESCc1cccc(Sc2c(O)cc(C)n(C)c2=O)c1
InChIInChI=1S/C14H15NO2S/c1-9-5-4-6-11(7-9)18-13-12(16)8-10(2)15(3)14(13)17/h4-8,16H,1-3H3
InChIKeyHFJDGGRLZFSADI-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.86
Rot. Bonds2

About 4-hydroxy-1,6-dimethyl-3-(3-methylphenyl)sulfanylpyridin-2-one

4-hydroxy-1,6-dimethyl-3-(3-methylphenyl)sulfanylpyridin-2-one (PubChem CID 135045684) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-hydroxy-1,6-dimethyl-3-(3-methylphenyl)sulfanylpyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1,6-dimethyl-3-(3-methylphenyl)sulfanylpyridin-2-one
PubChem CID135045684
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name4-hydroxy-1,6-dimethyl-3-(3-methylphenyl)sulfanylpyridin-2-one
SMILESCc1cccc(Sc2c(O)cc(C)n(C)c2=O)c1
InChIInChI=1S/C14H15NO2S/c1-9-5-4-6-11(7-9)18-13-12(16)8-10(2)15(3)14(13)17/h4-8,16H,1-3H3
InChIKeyHFJDGGRLZFSADI-UHFFFAOYSA-N
XLogP2.86
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-3-[(3-methylphenyl)sulfonyl]-1-(2-methyl-2-propenyl)-2(1H)-pyridinone
CID 1483842
3-(4-Fluorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one
CID 135045712
4-Hydroxy-1,6-dimethyl-3-phenylthiohydropyridin-2-one
CID 54699340
4-Hydroxy-1,6-dimethyl-3-naphthalen-2-ylsulfanylpyridin-2-one
CID 132490217
4-hydroxy-3-(4-methylphenyl)sulfanyl-1H-pyridin-2-one
CID 135034483
1-(2-(methylthio)benzyl)-4-hydroxy-6-methylpyridin-2(1H)-one
CID 57925768
4-Hydroxy-3,6-dimethyl-1-[(2-methylsulfanylphenyl)methyl]pyridin-2-one
CID 143522440
3-(Benzenesulfonyl)-4-hydroxy-1,6-dimethylpyridin-2-one
CID 54712816

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,6-dimethyl-3-(3-methylphenyl)sulfanylpyridin-2-one?
The IUPAC name of 4-hydroxy-1,6-dimethyl-3-(3-methylphenyl)sulfanylpyridin-2-one (CID 135045684) is 4-hydroxy-1,6-dimethyl-3-(3-methylphenyl)sulfanylpyridin-2-one.
What is the SMILES notation for 4-hydroxy-1,6-dimethyl-3-(3-methylphenyl)sulfanylpyridin-2-one?
The canonical SMILES for 4-hydroxy-1,6-dimethyl-3-(3-methylphenyl)sulfanylpyridin-2-one is Cc1cccc(Sc2c(O)cc(C)n(C)c2=O)c1.
What is the InChIKey of 4-hydroxy-1,6-dimethyl-3-(3-methylphenyl)sulfanylpyridin-2-one?
The InChIKey is HFJDGGRLZFSADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-9-5-4-6-11(7-9)18-13-12(16)8-10(2)15(3)14(13)17/h4-8,16H,1-3H3.
What are the key properties of 4-hydroxy-1,6-dimethyl-3-(3-methylphenyl)sulfanylpyridin-2-one?
4-hydroxy-1,6-dimethyl-3-(3-methylphenyl)sulfanylpyridin-2-one has a molecular weight of 261.35 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,6-dimethyl-3-(3-methylphenyl)sulfanylpyridin-2-one is sourced from PubChem (CID 135045684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).