5-methyl-4-phenylsulfanyl-1H-pyridin-2-one

C12H11NOS — CID 165356979

IUPAC5-methyl-4-phenylsulfanyl-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)cc1Sc1ccccc1
InChIInChI=1S/C12H11NOS/c1-9-8-13-12(14)7-11(9)15-10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14)
InChIKeyAOVHHMWYFGRGKA-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.83
Rot. Bonds2

About 5-methyl-4-phenylsulfanyl-1H-pyridin-2-one

5-methyl-4-phenylsulfanyl-1H-pyridin-2-one (PubChem CID 165356979) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 5-methyl-4-phenylsulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-methyl-4-phenylsulfanyl-1H-pyridin-2-one
PubChem CID165356979
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name5-methyl-4-phenylsulfanyl-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)cc1Sc1ccccc1
InChIInChI=1S/C12H11NOS/c1-9-8-13-12(14)7-11(9)15-10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14)
InChIKeyAOVHHMWYFGRGKA-UHFFFAOYSA-N
XLogP2.83
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenylsulfanyl-1H-pyridin-2-one?
The IUPAC name of 5-methyl-4-phenylsulfanyl-1H-pyridin-2-one (CID 165356979) is 5-methyl-4-phenylsulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 5-methyl-4-phenylsulfanyl-1H-pyridin-2-one?
The canonical SMILES for 5-methyl-4-phenylsulfanyl-1H-pyridin-2-one is Cc1c[nH]c(=O)cc1Sc1ccccc1.
What is the InChIKey of 5-methyl-4-phenylsulfanyl-1H-pyridin-2-one?
The InChIKey is AOVHHMWYFGRGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-9-8-13-12(14)7-11(9)15-10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14).
What are the key properties of 5-methyl-4-phenylsulfanyl-1H-pyridin-2-one?
5-methyl-4-phenylsulfanyl-1H-pyridin-2-one has a molecular weight of 217.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenylsulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 165356979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).