1-methyl-5-[(5-methylthiolan-3-yl)amino]pyridin-2-one

C11H16N2OS — CID 79950791

IUPAC1-methyl-5-[(5-methylthiolan-3-yl)amino]pyridin-2-one
SMILESCC1CC(Nc2ccc(=O)n(C)c2)CS1
InChIInChI=1S/C11H16N2OS/c1-8-5-10(7-15-8)12-9-3-4-11(14)13(2)6-9/h3-4,6,8,10,12H,5,7H2,1-2H3
InChIKeyGPPKTNCZXAWURH-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.69
Rot. Bonds2

About 1-methyl-5-[(5-methylthiolan-3-yl)amino]pyridin-2-one

1-methyl-5-[(5-methylthiolan-3-yl)amino]pyridin-2-one (PubChem CID 79950791) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-methyl-5-[(5-methylthiolan-3-yl)amino]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(5-methylthiolan-3-yl)amino]pyridin-2-one
PubChem CID79950791
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-methyl-5-[(5-methylthiolan-3-yl)amino]pyridin-2-one
SMILESCC1CC(Nc2ccc(=O)n(C)c2)CS1
InChIInChI=1S/C11H16N2OS/c1-8-5-10(7-15-8)12-9-3-4-11(14)13(2)6-9/h3-4,6,8,10,12H,5,7H2,1-2H3
InChIKeyGPPKTNCZXAWURH-UHFFFAOYSA-N
XLogP1.69
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-5-[(5-methylthiolan-3-yl)amino]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 1-methyl-5-[(5-methylthiolan-3-yl)amino]pyridin-2-one?
The IUPAC name of 1-methyl-5-[(5-methylthiolan-3-yl)amino]pyridin-2-one (CID 79950791) is 1-methyl-5-[(5-methylthiolan-3-yl)amino]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[(5-methylthiolan-3-yl)amino]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[(5-methylthiolan-3-yl)amino]pyridin-2-one is CC1CC(Nc2ccc(=O)n(C)c2)CS1.
What is the InChIKey of 1-methyl-5-[(5-methylthiolan-3-yl)amino]pyridin-2-one?
The InChIKey is GPPKTNCZXAWURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8-5-10(7-15-8)12-9-3-4-11(14)13(2)6-9/h3-4,6,8,10,12H,5,7H2,1-2H3.
What are the key properties of 1-methyl-5-[(5-methylthiolan-3-yl)amino]pyridin-2-one?
1-methyl-5-[(5-methylthiolan-3-yl)amino]pyridin-2-one has a molecular weight of 224.33 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(5-methylthiolan-3-yl)amino]pyridin-2-one is sourced from PubChem (CID 79950791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).