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

C11H11ClN2O2S — CID 117141533

IUPAC2-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1c1ncc2cccc(Cl)n12
InChIInChI=1S/C11H11ClN2O2S/c12-10-5-1-3-8-7-13-11(14(8)10)9-4-2-6-17(9,15)16/h1,3,5,7,9H,2,4,6H2
InChIKeyZSSACLKIZHPMDG-UHFFFAOYSA-N
MW270.74 g/mol
LogP2.24
Rot. Bonds1

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

2-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide (PubChem CID 117141533) has the molecular formula C11H11ClN2O2S and a molecular weight of 270.74 g/mol. Its IUPAC name is 2-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide
PubChem CID117141533
Molecular FormulaC11H11ClN2O2S
Molecular Weight270.74 g/mol
Exact Mass270.02
IUPAC Name2-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1c1ncc2cccc(Cl)n12
InChIInChI=1S/C11H11ClN2O2S/c12-10-5-1-3-8-7-13-11(14(8)10)9-4-2-6-17(9,15)16/h1,3,5,7,9H,2,4,6H2
InChIKeyZSSACLKIZHPMDG-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide?
The IUPAC name of 2-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide (CID 117141533) is 2-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 2-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide?
The canonical SMILES for 2-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide is O=S1(=O)CCCC1c1ncc2cccc(Cl)n12.
What is the InChIKey of 2-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide?
The InChIKey is ZSSACLKIZHPMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S/c12-10-5-1-3-8-7-13-11(14(8)10)9-4-2-6-17(9,15)16/h1,3,5,7,9H,2,4,6H2.
What are the key properties of 2-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide?
2-(5-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-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 117141533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).