4-(1-chloro-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide

C13H19ClN2O2S — CID 117248358

IUPAC4-(1-chloro-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide
SMILESCC1CCc2c(Cl)nc(C3CCS(=O)(=O)CC3)n2C1
InChIInChI=1S/C13H19ClN2O2S/c1-9-2-3-11-12(14)15-13(16(11)8-9)10-4-6-19(17,18)7-5-10/h9-10H,2-8H2,1H3
InChIKeyYNGYXNQSTQKBPX-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.41
Rot. Bonds1

About 4-(1-chloro-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide

4-(1-chloro-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide (PubChem CID 117248358) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 4-(1-chloro-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(1-chloro-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide
PubChem CID117248358
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name4-(1-chloro-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide
SMILESCC1CCc2c(Cl)nc(C3CCS(=O)(=O)CC3)n2C1
InChIInChI=1S/C13H19ClN2O2S/c1-9-2-3-11-12(14)15-13(16(11)8-9)10-4-6-19(17,18)7-5-10/h9-10H,2-8H2,1H3
InChIKeyYNGYXNQSTQKBPX-UHFFFAOYSA-N
XLogP2.41
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(1-chloro-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloro-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(1-chloro-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide (CID 117248358) is 4-(1-chloro-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(1-chloro-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(1-chloro-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide is CC1CCc2c(Cl)nc(C3CCS(=O)(=O)CC3)n2C1.
What is the InChIKey of 4-(1-chloro-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide?
The InChIKey is YNGYXNQSTQKBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-9-2-3-11-12(14)15-13(16(11)8-9)10-4-6-19(17,18)7-5-10/h9-10H,2-8H2,1H3.
What are the key properties of 4-(1-chloro-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide?
4-(1-chloro-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide has a molecular weight of 302.83 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloro-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide is sourced from PubChem (CID 117248358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).