3-hydroxy-1-[(4-methylphenyl)sulfanylmethyl]pyridin-2-one

C13H13NO2S — CID 143656606

IUPAC3-hydroxy-1-[(4-methylphenyl)sulfanylmethyl]pyridin-2-one
SMILESCc1ccc(SCn2cccc(O)c2=O)cc1
InChIInChI=1S/C13H13NO2S/c1-10-4-6-11(7-5-10)17-9-14-8-2-3-12(15)13(14)16/h2-8,15H,9H2,1H3
InChIKeyGCPDJLWTFSKWQB-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.61
Rot. Bonds3

About 3-hydroxy-1-[(4-methylphenyl)sulfanylmethyl]pyridin-2-one

3-hydroxy-1-[(4-methylphenyl)sulfanylmethyl]pyridin-2-one (PubChem CID 143656606) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-hydroxy-1-[(4-methylphenyl)sulfanylmethyl]pyridin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[(4-methylphenyl)sulfanylmethyl]pyridin-2-one
PubChem CID143656606
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name3-hydroxy-1-[(4-methylphenyl)sulfanylmethyl]pyridin-2-one
SMILESCc1ccc(SCn2cccc(O)c2=O)cc1
InChIInChI=1S/C13H13NO2S/c1-10-4-6-11(7-5-10)17-9-14-8-2-3-12(15)13(14)16/h2-8,15H,9H2,1H3
InChIKeyGCPDJLWTFSKWQB-UHFFFAOYSA-N
XLogP2.61
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[(4-methylphenyl)sulfanylmethyl]pyridin-2-one?
The IUPAC name of 3-hydroxy-1-[(4-methylphenyl)sulfanylmethyl]pyridin-2-one (CID 143656606) is 3-hydroxy-1-[(4-methylphenyl)sulfanylmethyl]pyridin-2-one.
What is the SMILES notation for 3-hydroxy-1-[(4-methylphenyl)sulfanylmethyl]pyridin-2-one?
The canonical SMILES for 3-hydroxy-1-[(4-methylphenyl)sulfanylmethyl]pyridin-2-one is Cc1ccc(SCn2cccc(O)c2=O)cc1.
What is the InChIKey of 3-hydroxy-1-[(4-methylphenyl)sulfanylmethyl]pyridin-2-one?
The InChIKey is GCPDJLWTFSKWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-10-4-6-11(7-5-10)17-9-14-8-2-3-12(15)13(14)16/h2-8,15H,9H2,1H3.
What are the key properties of 3-hydroxy-1-[(4-methylphenyl)sulfanylmethyl]pyridin-2-one?
3-hydroxy-1-[(4-methylphenyl)sulfanylmethyl]pyridin-2-one has a molecular weight of 247.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[(4-methylphenyl)sulfanylmethyl]pyridin-2-one is sourced from PubChem (CID 143656606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).