5-[(1-oxothian-4-yl)amino]-1-propylpyridin-2-one

C13H20N2O2S — CID 54981919

IUPAC5-[(1-oxothian-4-yl)amino]-1-propylpyridin-2-one
SMILESCCCn1cc(NC2CCS(=O)CC2)ccc1=O
InChIInChI=1S/C13H20N2O2S/c1-2-7-15-10-12(3-4-13(15)16)14-11-5-8-18(17)9-6-11/h3-4,10-11,14H,2,5-9H2,1H3
InChIKeyLQHWJBOUZAHQAB-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.58
Rot. Bonds4

About 5-[(1-oxothian-4-yl)amino]-1-propylpyridin-2-one

5-[(1-oxothian-4-yl)amino]-1-propylpyridin-2-one (PubChem CID 54981919) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 5-[(1-oxothian-4-yl)amino]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[(1-oxothian-4-yl)amino]-1-propylpyridin-2-one
PubChem CID54981919
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name5-[(1-oxothian-4-yl)amino]-1-propylpyridin-2-one
SMILESCCCn1cc(NC2CCS(=O)CC2)ccc1=O
InChIInChI=1S/C13H20N2O2S/c1-2-7-15-10-12(3-4-13(15)16)14-11-5-8-18(17)9-6-11/h3-4,10-11,14H,2,5-9H2,1H3
InChIKeyLQHWJBOUZAHQAB-UHFFFAOYSA-N
XLogP1.58
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(1-oxothian-4-yl)amino]-1-propylpyridin-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-[(1-oxothian-4-yl)amino]-1-propylpyridin-2-one?
The IUPAC name of 5-[(1-oxothian-4-yl)amino]-1-propylpyridin-2-one (CID 54981919) is 5-[(1-oxothian-4-yl)amino]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[(1-oxothian-4-yl)amino]-1-propylpyridin-2-one?
The canonical SMILES for 5-[(1-oxothian-4-yl)amino]-1-propylpyridin-2-one is CCCn1cc(NC2CCS(=O)CC2)ccc1=O.
What is the InChIKey of 5-[(1-oxothian-4-yl)amino]-1-propylpyridin-2-one?
The InChIKey is LQHWJBOUZAHQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-7-15-10-12(3-4-13(15)16)14-11-5-8-18(17)9-6-11/h3-4,10-11,14H,2,5-9H2,1H3.
What are the key properties of 5-[(1-oxothian-4-yl)amino]-1-propylpyridin-2-one?
5-[(1-oxothian-4-yl)amino]-1-propylpyridin-2-one has a molecular weight of 268.38 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-oxothian-4-yl)amino]-1-propylpyridin-2-one is sourced from PubChem (CID 54981919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).