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

C13H16N2O2S — CID 117146435

IUPAC3-(8-methylimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide
SMILESCc1cccn2c(C3CCCS(=O)(=O)C3)ncc12
InChIInChI=1S/C13H16N2O2S/c1-10-4-2-6-15-12(10)8-14-13(15)11-5-3-7-18(16,17)9-11/h2,4,6,8,11H,3,5,7,9H2,1H3
InChIKeyRYRCORKIXLRDLW-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.93
Rot. Bonds1

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

3-(8-methylimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide (PubChem CID 117146435) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-(8-methylimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name3-(8-methylimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide
PubChem CID117146435
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name3-(8-methylimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide
SMILESCc1cccn2c(C3CCCS(=O)(=O)C3)ncc12
InChIInChI=1S/C13H16N2O2S/c1-10-4-2-6-15-12(10)8-14-13(15)11-5-3-7-18(16,17)9-11/h2,4,6,8,11H,3,5,7,9H2,1H3
InChIKeyRYRCORKIXLRDLW-UHFFFAOYSA-N
XLogP1.93
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(8-methylimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide?
The IUPAC name of 3-(8-methylimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide (CID 117146435) is 3-(8-methylimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide.
What is the SMILES notation for 3-(8-methylimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide?
The canonical SMILES for 3-(8-methylimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide is Cc1cccn2c(C3CCCS(=O)(=O)C3)ncc12.
What is the InChIKey of 3-(8-methylimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide?
The InChIKey is RYRCORKIXLRDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-10-4-2-6-15-12(10)8-14-13(15)11-5-3-7-18(16,17)9-11/h2,4,6,8,11H,3,5,7,9H2,1H3.
What are the key properties of 3-(8-methylimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide?
3-(8-methylimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide has a molecular weight of 264.35 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methylimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide is sourced from PubChem (CID 117146435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).