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

C12H13ClN2O2S — CID 117141476

IUPAC3-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCCC(c2ncc3cccc(Cl)n23)C1
InChIInChI=1S/C12H13ClN2O2S/c13-11-5-1-4-10-7-14-12(15(10)11)9-3-2-6-18(16,17)8-9/h1,4-5,7,9H,2-3,6,8H2
InChIKeyVRASKCXXQFZFRY-UHFFFAOYSA-N
MW284.77 g/mol
LogP2.28
Rot. Bonds1

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

3-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide (PubChem CID 117141476) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is 3-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name3-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide
PubChem CID117141476
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC Name3-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCCC(c2ncc3cccc(Cl)n23)C1
InChIInChI=1S/C12H13ClN2O2S/c13-11-5-1-4-10-7-14-12(15(10)11)9-3-2-6-18(16,17)8-9/h1,4-5,7,9H,2-3,6,8H2
InChIKeyVRASKCXXQFZFRY-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

Computed Properties (RDKit)

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

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Related Compounds

3-(1,1-dioxothian-3-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117142556
2-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide
CID 117141533
3-(8-methylimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide
CID 117146435
3-(1,1-dioxothian-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117147480
3-pyridazin-3-ylthiane 1,1-dioxide
CID 117105552
[3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149523
3-(2-benzyl-5-phenyl-1,2,4-triazol-3-yl)thiane 1,1-dioxide
CID 72868794
3-cyclopropylimidazo[1,5-a]pyridine-5-carboximidamide
CID 83880717
3-(1,1-dioxothian-2-yl)imidazo[1,5-a]pyridine-5-carbaldehyde
CID 117141043
3-(oxan-3-yl)imidazo[1,5-a]pyridin-5-amine
CID 117141464
5-methyl-3-piperidin-3-ylimidazo[1,5-a]pyridine
CID 84740105
3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117141245

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide?
The IUPAC name of 3-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide (CID 117141476) is 3-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide.
What is the SMILES notation for 3-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide?
The canonical SMILES for 3-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide is O=S1(=O)CCCC(c2ncc3cccc(Cl)n23)C1.
What is the InChIKey of 3-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide?
The InChIKey is VRASKCXXQFZFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c13-11-5-1-4-10-7-14-12(15(10)11)9-3-2-6-18(16,17)8-9/h1,4-5,7,9H,2-3,6,8H2.
What are the key properties of 3-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide?
3-(5-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 3-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide is sourced from PubChem (CID 117141476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).