1-[2-(3-hydroxyphenyl)sulfanylethyl]pyridin-2-one

C13H13NO2S — CID 113430079

IUPAC1-[2-(3-hydroxyphenyl)sulfanylethyl]pyridin-2-one
SMILESO=c1ccccn1CCSc1cccc(O)c1
InChIInChI=1S/C13H13NO2S/c15-11-4-3-5-12(10-11)17-9-8-14-7-2-1-6-13(14)16/h1-7,10,15H,8-9H2
InChIKeyIKXNSLLWGBZXBR-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.35
Rot. Bonds4

About 1-[2-(3-hydroxyphenyl)sulfanylethyl]pyridin-2-one

1-[2-(3-hydroxyphenyl)sulfanylethyl]pyridin-2-one (PubChem CID 113430079) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-[2-(3-hydroxyphenyl)sulfanylethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(3-hydroxyphenyl)sulfanylethyl]pyridin-2-one
PubChem CID113430079
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name1-[2-(3-hydroxyphenyl)sulfanylethyl]pyridin-2-one
SMILESO=c1ccccn1CCSc1cccc(O)c1
InChIInChI=1S/C13H13NO2S/c15-11-4-3-5-12(10-11)17-9-8-14-7-2-1-6-13(14)16/h1-7,10,15H,8-9H2
InChIKeyIKXNSLLWGBZXBR-UHFFFAOYSA-N
XLogP2.35
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxyphenyl)sulfanyl-N,N-di((113C)methyl)acetamide
CID 90836837
5-hydroxy-2-[(3-hydroxyphenyl)sulfanylmethyl]-1H-pyridin-4-one
CID 126547190
N-[2-(2,5-dihydroxyphenyl)sulfanylethyl]prop-2-enamide
CID 132009513
N-butyl-2-(3-hydroxyphenyl)sulfanyl-N-methylacetamide
CID 144619965
4-[(4-Hydroxyphenyl)sulfonylmethyl]-1-propan-2-ylpyridin-2-one
CID 156340067
1-[(4-Hydroxyphenyl)sulfonylmethyl]pyridin-2-one
CID 156372850
1-[3-(4-Hydroxyphenyl)sulfanylazetidin-1-yl]ethanone
CID 157041195
3-(4-Hydroxyphenyl)sulfanyl-1-methylpyrrole-2,5-dione
CID 14762063
N,N-bis(2-cyanoethyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 47262904
4-[(4-Hydroxyphenyl)sulfanylmethyl]-1-methylpyridin-2-one
CID 47289223
n-Allyl-2-((4-hydroxyphenyl)thio)acetamide
CID 51087958
N,N-diethyl-2-(4-hydroxyphenyl)sulfanylacetamide
CID 51891797

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxyphenyl)sulfanylethyl]pyridin-2-one?
The IUPAC name of 1-[2-(3-hydroxyphenyl)sulfanylethyl]pyridin-2-one (CID 113430079) is 1-[2-(3-hydroxyphenyl)sulfanylethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(3-hydroxyphenyl)sulfanylethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(3-hydroxyphenyl)sulfanylethyl]pyridin-2-one is O=c1ccccn1CCSc1cccc(O)c1.
What is the InChIKey of 1-[2-(3-hydroxyphenyl)sulfanylethyl]pyridin-2-one?
The InChIKey is IKXNSLLWGBZXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c15-11-4-3-5-12(10-11)17-9-8-14-7-2-1-6-13(14)16/h1-7,10,15H,8-9H2.
What are the key properties of 1-[2-(3-hydroxyphenyl)sulfanylethyl]pyridin-2-one?
1-[2-(3-hydroxyphenyl)sulfanylethyl]pyridin-2-one has a molecular weight of 247.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxyphenyl)sulfanylethyl]pyridin-2-one is sourced from PubChem (CID 113430079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).