5-amino-1-(2-phenylsulfanylethyl)pyridin-2-one

C13H14N2OS — CID 43260254

IUPAC5-amino-1-(2-phenylsulfanylethyl)pyridin-2-one
SMILESNc1ccc(=O)n(CCSc2ccccc2)c1
InChIInChI=1S/C13H14N2OS/c14-11-6-7-13(16)15(10-11)8-9-17-12-4-2-1-3-5-12/h1-7,10H,8-9,14H2
InChIKeyPGMCZCMDCVKHBY-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.22
Rot. Bonds4

About 5-amino-1-(2-phenylsulfanylethyl)pyridin-2-one

5-amino-1-(2-phenylsulfanylethyl)pyridin-2-one (PubChem CID 43260254) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 5-amino-1-(2-phenylsulfanylethyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(2-phenylsulfanylethyl)pyridin-2-one
PubChem CID43260254
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name5-amino-1-(2-phenylsulfanylethyl)pyridin-2-one
SMILESNc1ccc(=O)n(CCSc2ccccc2)c1
InChIInChI=1S/C13H14N2OS/c14-11-6-7-13(16)15(10-11)8-9-17-12-4-2-1-3-5-12/h1-7,10H,8-9,14H2
InChIKeyPGMCZCMDCVKHBY-UHFFFAOYSA-N
XLogP2.22
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-1-(2-phenylsulfanylethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-phenylsulfanylethyl)pyridin-2-one?
The IUPAC name of 5-amino-1-(2-phenylsulfanylethyl)pyridin-2-one (CID 43260254) is 5-amino-1-(2-phenylsulfanylethyl)pyridin-2-one.
What is the SMILES notation for 5-amino-1-(2-phenylsulfanylethyl)pyridin-2-one?
The canonical SMILES for 5-amino-1-(2-phenylsulfanylethyl)pyridin-2-one is Nc1ccc(=O)n(CCSc2ccccc2)c1.
What is the InChIKey of 5-amino-1-(2-phenylsulfanylethyl)pyridin-2-one?
The InChIKey is PGMCZCMDCVKHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c14-11-6-7-13(16)15(10-11)8-9-17-12-4-2-1-3-5-12/h1-7,10H,8-9,14H2.
What are the key properties of 5-amino-1-(2-phenylsulfanylethyl)pyridin-2-one?
5-amino-1-(2-phenylsulfanylethyl)pyridin-2-one has a molecular weight of 246.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-phenylsulfanylethyl)pyridin-2-one is sourced from PubChem (CID 43260254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).