6-(4-ethylphenyl)-1-methyl-3-(sulfanylmethyl)pyridin-2-one

C15H17NOS — CID 82520637

IUPAC6-(4-ethylphenyl)-1-methyl-3-(sulfanylmethyl)pyridin-2-one
SMILESCCc1ccc(-c2ccc(CS)c(=O)n2C)cc1
InChIInChI=1S/C15H17NOS/c1-3-11-4-6-12(7-5-11)14-9-8-13(10-18)15(17)16(14)2/h4-9,18H,3,10H2,1-2H3
InChIKeyKAURYTPFSOQONU-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.04
Rot. Bonds3

About 6-(4-ethylphenyl)-1-methyl-3-(sulfanylmethyl)pyridin-2-one

6-(4-ethylphenyl)-1-methyl-3-(sulfanylmethyl)pyridin-2-one (PubChem CID 82520637) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-1-methyl-3-(sulfanylmethyl)pyridin-2-one.

Molecular Properties

Compound Name6-(4-ethylphenyl)-1-methyl-3-(sulfanylmethyl)pyridin-2-one
PubChem CID82520637
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name6-(4-ethylphenyl)-1-methyl-3-(sulfanylmethyl)pyridin-2-one
SMILESCCc1ccc(-c2ccc(CS)c(=O)n2C)cc1
InChIInChI=1S/C15H17NOS/c1-3-11-4-6-12(7-5-11)14-9-8-13(10-18)15(17)16(14)2/h4-9,18H,3,10H2,1-2H3
InChIKeyKAURYTPFSOQONU-UHFFFAOYSA-N
XLogP3.04
TPSA22.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

6-(4-ethylphenyl)-1-propyl-3-(sulfanylmethyl)pyridin-2-one
CID 82520594
6-(4-ethylphenyl)-1-methyl-2-oxopyridine-3-carbaldehyde
CID 82520654
2-[6-(4-ethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetic acid
CID 82520595
6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-2-one
CID 82520519
3-(chloromethyl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one
CID 82517951
1-ethyl-6-(4-propan-2-ylphenyl)-3-(sulfanylmethyl)pyridin-2-one
CID 82520429
[4-[4-[4-(4-ethylphenyl)phenyl]phenyl]phenyl]methanethiol
CID 121337523
2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile
CID 82517950
3-[1-methyl-6-(4-methylphenyl)-2-oxo-3-pyridinyl]propanoyl chloride
CID 82520912
3-[(butan-2-ylamino)methyl]-6-(4-fluorophenyl)-1-methylpyridin-2-one
CID 82519652
3-(butylaminomethyl)-6-(4-chlorophenyl)-1-methylpyridin-2-one
CID 82519366
2-[1-methyl-6-(4-nitrophenyl)-2-oxo-3-pyridinyl]acetic acid
CID 82517008

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-1-methyl-3-(sulfanylmethyl)pyridin-2-one?
The IUPAC name of 6-(4-ethylphenyl)-1-methyl-3-(sulfanylmethyl)pyridin-2-one (CID 82520637) is 6-(4-ethylphenyl)-1-methyl-3-(sulfanylmethyl)pyridin-2-one.
What is the SMILES notation for 6-(4-ethylphenyl)-1-methyl-3-(sulfanylmethyl)pyridin-2-one?
The canonical SMILES for 6-(4-ethylphenyl)-1-methyl-3-(sulfanylmethyl)pyridin-2-one is CCc1ccc(-c2ccc(CS)c(=O)n2C)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-1-methyl-3-(sulfanylmethyl)pyridin-2-one?
The InChIKey is KAURYTPFSOQONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-3-11-4-6-12(7-5-11)14-9-8-13(10-18)15(17)16(14)2/h4-9,18H,3,10H2,1-2H3.
What are the key properties of 6-(4-ethylphenyl)-1-methyl-3-(sulfanylmethyl)pyridin-2-one?
6-(4-ethylphenyl)-1-methyl-3-(sulfanylmethyl)pyridin-2-one has a molecular weight of 259.37 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-1-methyl-3-(sulfanylmethyl)pyridin-2-one is sourced from PubChem (CID 82520637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).