3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

C12H18N2S — CID 117148345

IUPAC3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESc1nc(CC2CCSC2)n2c1CCCC2
InChIInChI=1S/C12H18N2S/c1-2-5-14-11(3-1)8-13-12(14)7-10-4-6-15-9-10/h8,10H,1-7,9H2
InChIKeyGYWYZHSLGMAQFV-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.52
Rot. Bonds2

About 3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 117148345) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID117148345
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESc1nc(CC2CCSC2)n2c1CCCC2
InChIInChI=1S/C12H18N2S/c1-2-5-14-11(3-1)8-13-12(14)7-10-4-6-15-9-10/h8,10H,1-7,9H2
InChIKeyGYWYZHSLGMAQFV-UHFFFAOYSA-N
XLogP2.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 117148345) is 3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is c1nc(CC2CCSC2)n2c1CCCC2.
What is the InChIKey of 3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is GYWYZHSLGMAQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-2-5-14-11(3-1)8-13-12(14)7-10-4-6-15-9-10/h8,10H,1-7,9H2.
What are the key properties of 3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 222.36 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 117148345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).