5-(2-ethyl-5-methylsulfanylphenyl)-1-methylpyridin-2-one

C15H17NOS — CID 134311042

IUPAC5-(2-ethyl-5-methylsulfanylphenyl)-1-methylpyridin-2-one
SMILESCCc1ccc(SC)cc1-c1ccc(=O)n(C)c1
InChIInChI=1S/C15H17NOS/c1-4-11-5-7-13(18-3)9-14(11)12-6-8-15(17)16(2)10-12/h5-10H,4H2,1-3H3
InChIKeyDSPQDKHVOHMQIP-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.34
Rot. Bonds3

About 5-(2-ethyl-5-methylsulfanylphenyl)-1-methylpyridin-2-one

5-(2-ethyl-5-methylsulfanylphenyl)-1-methylpyridin-2-one (PubChem CID 134311042) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 5-(2-ethyl-5-methylsulfanylphenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-(2-ethyl-5-methylsulfanylphenyl)-1-methylpyridin-2-one
PubChem CID134311042
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name5-(2-ethyl-5-methylsulfanylphenyl)-1-methylpyridin-2-one
SMILESCCc1ccc(SC)cc1-c1ccc(=O)n(C)c1
InChIInChI=1S/C15H17NOS/c1-4-11-5-7-13(18-3)9-14(11)12-6-8-15(17)16(2)10-12/h5-10H,4H2,1-3H3
InChIKeyDSPQDKHVOHMQIP-UHFFFAOYSA-N
XLogP3.34
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-5-methylsulfanylphenyl)-1-methylpyridin-2-one?
The IUPAC name of 5-(2-ethyl-5-methylsulfanylphenyl)-1-methylpyridin-2-one (CID 134311042) is 5-(2-ethyl-5-methylsulfanylphenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 5-(2-ethyl-5-methylsulfanylphenyl)-1-methylpyridin-2-one?
The canonical SMILES for 5-(2-ethyl-5-methylsulfanylphenyl)-1-methylpyridin-2-one is CCc1ccc(SC)cc1-c1ccc(=O)n(C)c1.
What is the InChIKey of 5-(2-ethyl-5-methylsulfanylphenyl)-1-methylpyridin-2-one?
The InChIKey is DSPQDKHVOHMQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-4-11-5-7-13(18-3)9-14(11)12-6-8-15(17)16(2)10-12/h5-10H,4H2,1-3H3.
What are the key properties of 5-(2-ethyl-5-methylsulfanylphenyl)-1-methylpyridin-2-one?
5-(2-ethyl-5-methylsulfanylphenyl)-1-methylpyridin-2-one has a molecular weight of 259.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-5-methylsulfanylphenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 134311042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).