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

C12H13ClN2O2S — CID 117250416

IUPAC4-(1-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(c2nc(Cl)c3ccccn23)CC1
InChIInChI=1S/C12H13ClN2O2S/c13-11-10-3-1-2-6-15(10)12(14-11)9-4-7-18(16,17)8-5-9/h1-3,6,9H,4-5,7-8H2
InChIKeyRKYCQWKDUSIASR-UHFFFAOYSA-N
MW284.77 g/mol
LogP2.28
Rot. Bonds1

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

4-(1-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide (PubChem CID 117250416) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is 4-(1-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(1-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide
PubChem CID117250416
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC Name4-(1-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(c2nc(Cl)c3ccccn23)CC1
InChIInChI=1S/C12H13ClN2O2S/c13-11-10-3-1-2-6-15(10)12(14-11)9-4-7-18(16,17)8-5-9/h1-3,6,9H,4-5,7-8H2
InChIKeyRKYCQWKDUSIASR-UHFFFAOYSA-N
XLogP2.28
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(1-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide (CID 117250416) is 4-(1-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(1-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(1-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide is O=S1(=O)CCC(c2nc(Cl)c3ccccn23)CC1.
What is the InChIKey of 4-(1-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide?
The InChIKey is RKYCQWKDUSIASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c13-11-10-3-1-2-6-15(10)12(14-11)9-4-7-18(16,17)8-5-9/h1-3,6,9H,4-5,7-8H2.
What are the key properties of 4-(1-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide?
4-(1-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide has a molecular weight of 284.77 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide is sourced from PubChem (CID 117250416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).