6-methyl-1-(2-phenylsulfanylethyl)pyridin-2-one

C14H15NOS — CID 79349547

IUPAC6-methyl-1-(2-phenylsulfanylethyl)pyridin-2-one
SMILESCc1cccc(=O)n1CCSc1ccccc1
InChIInChI=1S/C14H15NOS/c1-12-6-5-9-14(16)15(12)10-11-17-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3
InChIKeyODNZRQZSTOJRNE-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.95
Rot. Bonds4

About 6-methyl-1-(2-phenylsulfanylethyl)pyridin-2-one

6-methyl-1-(2-phenylsulfanylethyl)pyridin-2-one (PubChem CID 79349547) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 6-methyl-1-(2-phenylsulfanylethyl)pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1-(2-phenylsulfanylethyl)pyridin-2-one
PubChem CID79349547
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name6-methyl-1-(2-phenylsulfanylethyl)pyridin-2-one
SMILESCc1cccc(=O)n1CCSc1ccccc1
InChIInChI=1S/C14H15NOS/c1-12-6-5-9-14(16)15(12)10-11-17-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3
InChIKeyODNZRQZSTOJRNE-UHFFFAOYSA-N
XLogP2.95
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Acetamide, 2-(phenylthio)-N-butyl-N-ethyl-
CID 2164695
N,N-bis(cyanomethyl)-2-(phenylsulfanyl)acetamide
CID 797843
Acetamide, N,N-diethyl-2-(phenylthio)-
CID 846787
2-phenylthio-N-methylmaleimide
CID 14641687
2-Phenylthio-N-ethylmaleimide
CID 14762069
4-Phenylsulfanyl-1-prop-2-enoyl-2-prop-2-enyl-2,3-dihydropyridin-6-one
CID 176621729
4-Hydroxy-1,6-dimethyl-3-phenylthiohydropyridin-2-one
CID 54699340
1-(Phenylsulfanylmethyl)pyridin-2-one
CID 134123239
N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide
CID 10331926
2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)acetamide
CID 10754015
5-Amino-1-[3-(2-fluorophenyl)sulfanylpropyl]pyridin-2-one
CID 43260281
5-Amino-1-[2-(2-fluorophenyl)sulfanylethyl]pyridin-2-one
CID 43260282

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-phenylsulfanylethyl)pyridin-2-one?
The IUPAC name of 6-methyl-1-(2-phenylsulfanylethyl)pyridin-2-one (CID 79349547) is 6-methyl-1-(2-phenylsulfanylethyl)pyridin-2-one.
What is the SMILES notation for 6-methyl-1-(2-phenylsulfanylethyl)pyridin-2-one?
The canonical SMILES for 6-methyl-1-(2-phenylsulfanylethyl)pyridin-2-one is Cc1cccc(=O)n1CCSc1ccccc1.
What is the InChIKey of 6-methyl-1-(2-phenylsulfanylethyl)pyridin-2-one?
The InChIKey is ODNZRQZSTOJRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-12-6-5-9-14(16)15(12)10-11-17-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3.
What are the key properties of 6-methyl-1-(2-phenylsulfanylethyl)pyridin-2-one?
6-methyl-1-(2-phenylsulfanylethyl)pyridin-2-one has a molecular weight of 245.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-phenylsulfanylethyl)pyridin-2-one is sourced from PubChem (CID 79349547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).