1-(phenylsulfanylmethyl)pyridin-2-one

C12H11NOS — CID 134123239

IUPAC1-(phenylsulfanylmethyl)pyridin-2-one
SMILESO=c1ccccn1CSc1ccccc1
InChIInChI=1S/C12H11NOS/c14-12-8-4-5-9-13(12)10-15-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyIUCBIVBOMMRNFU-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.60
Rot. Bonds3

About 1-(phenylsulfanylmethyl)pyridin-2-one

1-(phenylsulfanylmethyl)pyridin-2-one (PubChem CID 134123239) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-(phenylsulfanylmethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(phenylsulfanylmethyl)pyridin-2-one
PubChem CID134123239
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name1-(phenylsulfanylmethyl)pyridin-2-one
SMILESO=c1ccccn1CSc1ccccc1
InChIInChI=1S/C12H11NOS/c14-12-8-4-5-9-13(12)10-15-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyIUCBIVBOMMRNFU-UHFFFAOYSA-N
XLogP2.60
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(phenylsulfanylmethyl)pyridin-2-one?
The IUPAC name of 1-(phenylsulfanylmethyl)pyridin-2-one (CID 134123239) is 1-(phenylsulfanylmethyl)pyridin-2-one.
What is the SMILES notation for 1-(phenylsulfanylmethyl)pyridin-2-one?
The canonical SMILES for 1-(phenylsulfanylmethyl)pyridin-2-one is O=c1ccccn1CSc1ccccc1.
What is the InChIKey of 1-(phenylsulfanylmethyl)pyridin-2-one?
The InChIKey is IUCBIVBOMMRNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c14-12-8-4-5-9-13(12)10-15-11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 1-(phenylsulfanylmethyl)pyridin-2-one?
1-(phenylsulfanylmethyl)pyridin-2-one has a molecular weight of 217.29 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenylsulfanylmethyl)pyridin-2-one is sourced from PubChem (CID 134123239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).