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

C12H18N2O2S — CID 117151307

IUPAC2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide
SMILESCC1CCn2c(cnc2C2CCCS2(=O)=O)C1
InChIInChI=1S/C12H18N2O2S/c1-9-4-5-14-10(7-9)8-13-12(14)11-3-2-6-17(11,15)16/h8-9,11H,2-7H2,1H3
InChIKeyLSBYXCMAYUTLOQ-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.72
Rot. Bonds1

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

2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide (PubChem CID 117151307) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide
PubChem CID117151307
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide
SMILESCC1CCn2c(cnc2C2CCCS2(=O)=O)C1
InChIInChI=1S/C12H18N2O2S/c1-9-4-5-14-10(7-9)8-13-12(14)11-3-2-6-17(11,15)16/h8-9,11H,2-7H2,1H3
InChIKeyLSBYXCMAYUTLOQ-UHFFFAOYSA-N
XLogP1.72
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.72
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)thiolane 1,1-dioxide?
The IUPAC name of 2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide (CID 117151307) is 2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide?
The canonical SMILES for 2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide is CC1CCn2c(cnc2C2CCCS2(=O)=O)C1.
What is the InChIKey of 2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide?
The InChIKey is LSBYXCMAYUTLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-4-5-14-10(7-9)8-13-12(14)11-3-2-6-17(11,15)16/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide?
2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide has a molecular weight of 254.35 g/mol, XLogP of 1.72, 1 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)thiolane 1,1-dioxide is sourced from PubChem (CID 117151307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).