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

C13H16N2O2S — CID 117146320

IUPAC3-[(8-methylimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide
SMILESCc1cccn2c(CC3CCS(=O)(=O)C3)ncc12
InChIInChI=1S/C13H16N2O2S/c1-10-3-2-5-15-12(10)8-14-13(15)7-11-4-6-18(16,17)9-11/h2-3,5,8,11H,4,6-7,9H2,1H3
InChIKeyOHXMUNFWPVVWDI-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.62
Rot. Bonds2

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

3-[(8-methylimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide (PubChem CID 117146320) 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)methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[(8-methylimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide
PubChem CID117146320
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name3-[(8-methylimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide
SMILESCc1cccn2c(CC3CCS(=O)(=O)C3)ncc12
InChIInChI=1S/C13H16N2O2S/c1-10-3-2-5-15-12(10)8-14-13(15)7-11-4-6-18(16,17)9-11/h2-3,5,8,11H,4,6-7,9H2,1H3
InChIKeyOHXMUNFWPVVWDI-UHFFFAOYSA-N
XLogP1.62
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,5-a]pyridin-8-amine
CID 117146321
3-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,5-a]pyridine-8-carbaldehyde
CID 117145951
8-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine
CID 117146338
[3-[(1,1-dioxothian-4-yl)methyl]imidazo[1,5-a]pyridin-8-yl]methanamine
CID 117145693
3-(8-methylimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide
CID 117146435
N-methyl-1-(8-methylimidazo[1,5-a]pyridin-3-yl)methanamine
CID 83865145
3-[(1,1-dioxothian-3-yl)methyl]imidazo[1,5-a]pyridin-7-ol
CID 117144291
8-methyl-3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine
CID 117147009
8-methyl-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine
CID 117146223
methyl 3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate
CID 117147463
3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridin-8-ol
CID 105489731
methyl 3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate
CID 117147437

Frequently Asked Questions

What is the IUPAC name of 3-[(8-methylimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide?
The IUPAC name of 3-[(8-methylimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide (CID 117146320) is 3-[(8-methylimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[(8-methylimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[(8-methylimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide is Cc1cccn2c(CC3CCS(=O)(=O)C3)ncc12.
What is the InChIKey of 3-[(8-methylimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide?
The InChIKey is OHXMUNFWPVVWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-10-3-2-5-15-12(10)8-14-13(15)7-11-4-6-18(16,17)9-11/h2-3,5,8,11H,4,6-7,9H2,1H3.
What are the key properties of 3-[(8-methylimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide?
3-[(8-methylimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide has a molecular weight of 264.35 g/mol, XLogP of 1.62, 2 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)methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 117146320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).