2-(6-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide

C11H11ClN2O2S — CID 117139062

IUPAC2-(6-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1c1ncc2ccc(Cl)cn12
InChIInChI=1S/C11H11ClN2O2S/c12-8-3-4-9-6-13-11(14(9)7-8)10-2-1-5-17(10,15)16/h3-4,6-7,10H,1-2,5H2
InChIKeyPURAFFRNUADMBH-UHFFFAOYSA-N
MW270.74 g/mol
LogP2.24
Rot. Bonds1

About 2-(6-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide

2-(6-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide (PubChem CID 117139062) has the molecular formula C11H11ClN2O2S and a molecular weight of 270.74 g/mol. Its IUPAC name is 2-(6-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-(6-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide
PubChem CID117139062
Molecular FormulaC11H11ClN2O2S
Molecular Weight270.74 g/mol
Exact Mass270.02
IUPAC Name2-(6-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1c1ncc2ccc(Cl)cn12
InChIInChI=1S/C11H11ClN2O2S/c12-8-3-4-9-6-13-11(14(9)7-8)10-2-1-5-17(10,15)16/h3-4,6-7,10H,1-2,5H2
InChIKeyPURAFFRNUADMBH-UHFFFAOYSA-N
XLogP2.24
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde
CID 117138519
2-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide
CID 117141533
[3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
CID 117143267
3-(1,1-dioxothian-2-yl)imidazo[1,5-a]pyridine-5-carbaldehyde
CID 117141043
methyl 3-(1,1-dioxothian-2-yl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117145079
2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide
CID 117151307
2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide
CID 117129656
2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide
CID 117139069
2-[(7-chloroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide
CID 117144176
[3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridin-6-yl]methanamine
CID 117138194
1-(6-chloroimidazo[1,5-a]pyridin-3-yl)cyclobutan-1-amine
CID 105478688
6-chloro-3-(2,2-dimethylpropyl)imidazo[1,5-a]pyridine
CID 117139725

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide?
The IUPAC name of 2-(6-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide (CID 117139062) is 2-(6-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 2-(6-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide?
The canonical SMILES for 2-(6-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide is O=S1(=O)CCCC1c1ncc2ccc(Cl)cn12.
What is the InChIKey of 2-(6-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide?
The InChIKey is PURAFFRNUADMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S/c12-8-3-4-9-6-13-11(14(9)7-8)10-2-1-5-17(10,15)16/h3-4,6-7,10H,1-2,5H2.
What are the key properties of 2-(6-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide?
2-(6-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide has a molecular weight of 270.74 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 117139062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).