2-[(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide

C13H20N2O2S — CID 117151384

IUPAC2-[(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide
SMILESCC1CCn2c(cnc2CC2CCCS2(=O)=O)C1
InChIInChI=1S/C13H20N2O2S/c1-10-4-5-15-11(7-10)9-14-13(15)8-12-3-2-6-18(12,16)17/h9-10,12H,2-8H2,1H3
InChIKeyAKXQHLGGAOSJQW-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.59
Rot. Bonds2

About 2-[(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide

2-[(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide (PubChem CID 117151384) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-[(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide
PubChem CID117151384
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide
SMILESCC1CCn2c(cnc2CC2CCCS2(=O)=O)C1
InChIInChI=1S/C13H20N2O2S/c1-10-4-5-15-11(7-10)9-14-13(15)8-12-3-2-6-18(12,16)17/h9-10,12H,2-8H2,1H3
InChIKeyAKXQHLGGAOSJQW-UHFFFAOYSA-N
XLogP1.59
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide?
The IUPAC name of 2-[(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide (CID 117151384) is 2-[(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide.
What is the SMILES notation for 2-[(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide?
The canonical SMILES for 2-[(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide is CC1CCn2c(cnc2CC2CCCS2(=O)=O)C1.
What is the InChIKey of 2-[(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide?
The InChIKey is AKXQHLGGAOSJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-4-5-15-11(7-10)9-14-13(15)8-12-3-2-6-18(12,16)17/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-[(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide?
2-[(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide has a molecular weight of 268.38 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 117151384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).