4-methyl-1-(2-methylsulfanylethyl)pyridin-2-one

C9H13NOS — CID 115900483

IUPAC4-methyl-1-(2-methylsulfanylethyl)pyridin-2-one
SMILESCSCCn1ccc(C)cc1=O
InChIInChI=1S/C9H13NOS/c1-8-3-4-10(5-6-12-2)9(11)7-8/h3-4,7H,5-6H2,1-2H3
InChIKeyCWYMITMZZLSEAK-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.52
Rot. Bonds3

About 4-methyl-1-(2-methylsulfanylethyl)pyridin-2-one

4-methyl-1-(2-methylsulfanylethyl)pyridin-2-one (PubChem CID 115900483) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 4-methyl-1-(2-methylsulfanylethyl)pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-(2-methylsulfanylethyl)pyridin-2-one
PubChem CID115900483
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name4-methyl-1-(2-methylsulfanylethyl)pyridin-2-one
SMILESCSCCn1ccc(C)cc1=O
InChIInChI=1S/C9H13NOS/c1-8-3-4-10(5-6-12-2)9(11)7-8/h3-4,7H,5-6H2,1-2H3
InChIKeyCWYMITMZZLSEAK-UHFFFAOYSA-N
XLogP1.52
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylsulfanylethyl)pyridin-2-one?
The IUPAC name of 4-methyl-1-(2-methylsulfanylethyl)pyridin-2-one (CID 115900483) is 4-methyl-1-(2-methylsulfanylethyl)pyridin-2-one.
What is the SMILES notation for 4-methyl-1-(2-methylsulfanylethyl)pyridin-2-one?
The canonical SMILES for 4-methyl-1-(2-methylsulfanylethyl)pyridin-2-one is CSCCn1ccc(C)cc1=O.
What is the InChIKey of 4-methyl-1-(2-methylsulfanylethyl)pyridin-2-one?
The InChIKey is CWYMITMZZLSEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-8-3-4-10(5-6-12-2)9(11)7-8/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 4-methyl-1-(2-methylsulfanylethyl)pyridin-2-one?
4-methyl-1-(2-methylsulfanylethyl)pyridin-2-one has a molecular weight of 183.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylsulfanylethyl)pyridin-2-one is sourced from PubChem (CID 115900483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).