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

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Related Compounds

8-methoxy-3-(oxolan-2-yl)imidazo[1,5-a]pyridine
CID 117145426
3-(8-methylimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide
CID 117146435
methyl 3-cyclohexylimidazo[1,5-a]pyridine-8-carboxylate
CID 117147778
4-(1-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide
CID 117250416
8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyridine
CID 117146255
2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide
CID 117145429
8-methoxy-3-[(1-methylpiperidin-3-yl)methyl]imidazo[1,5-a]pyridine
CID 117145486
3-(1,1-dioxothian-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117147480
2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiane 1,1-dioxide
CID 117145442
8-methyl-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine
CID 117146223
8-methoxy-3-(2-methylphenyl)imidazo[1,5-a]pyridine
CID 117145591
3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117147381

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).