4-(8-methoxyimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide

C13H16N2O3S — CID 117145378

IUPAC4-(8-methoxyimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide
SMILESCOc1cccn2c(C3CCS(=O)(=O)CC3)ncc12
InChIInChI=1S/C13H16N2O3S/c1-18-12-3-2-6-15-11(12)9-14-13(15)10-4-7-19(16,17)8-5-10/h2-3,6,9-10H,4-5,7-8H2,1H3
InChIKeyKWBPAAPSIQHQID-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.64
Rot. Bonds2

About 4-(8-methoxyimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide

4-(8-methoxyimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide (PubChem CID 117145378) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-(8-methoxyimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(8-methoxyimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide
PubChem CID117145378
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name4-(8-methoxyimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide
SMILESCOc1cccn2c(C3CCS(=O)(=O)CC3)ncc12
InChIInChI=1S/C13H16N2O3S/c1-18-12-3-2-6-15-11(12)9-14-13(15)10-4-7-19(16,17)8-5-10/h2-3,6,9-10H,4-5,7-8H2,1H3
InChIKeyKWBPAAPSIQHQID-UHFFFAOYSA-N
XLogP1.64
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(8-methoxyimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide 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 4-(8-methoxyimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(8-methoxyimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide (CID 117145378) is 4-(8-methoxyimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(8-methoxyimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(8-methoxyimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide is COc1cccn2c(C3CCS(=O)(=O)CC3)ncc12.
What is the InChIKey of 4-(8-methoxyimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide?
The InChIKey is KWBPAAPSIQHQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-18-12-3-2-6-15-11(12)9-14-13(15)10-4-7-19(16,17)8-5-10/h2-3,6,9-10H,4-5,7-8H2,1H3.
What are the key properties of 4-(8-methoxyimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide?
4-(8-methoxyimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide has a molecular weight of 280.35 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methoxyimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide is sourced from PubChem (CID 117145378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).