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

C13H20N2O2S — CID 117148390

IUPAC4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(Cc2ncc3n2CCCC3)CC1
InChIInChI=1S/C13H20N2O2S/c16-18(17)7-4-11(5-8-18)9-13-14-10-12-3-1-2-6-15(12)13/h10-11H,1-9H2
InChIKeyVEBFXCAFJMBHJR-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.59
Rot. Bonds2

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

4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)thiane 1,1-dioxide (PubChem CID 117148390) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)thiane 1,1-dioxide
PubChem CID117148390
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(Cc2ncc3n2CCCC3)CC1
InChIInChI=1S/C13H20N2O2S/c16-18(17)7-4-11(5-8-18)9-13-14-10-12-3-1-2-6-15(12)13/h10-11H,1-9H2
InChIKeyVEBFXCAFJMBHJR-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 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)thiane 1,1-dioxide?
The IUPAC name of 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)thiane 1,1-dioxide (CID 117148390) is 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)thiane 1,1-dioxide?
The canonical SMILES for 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)thiane 1,1-dioxide is O=S1(=O)CCC(Cc2ncc3n2CCCC3)CC1.
What is the InChIKey of 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)thiane 1,1-dioxide?
The InChIKey is VEBFXCAFJMBHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c16-18(17)7-4-11(5-8-18)9-13-14-10-12-3-1-2-6-15(12)13/h10-11H,1-9H2.
What are the key properties of 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)thiane 1,1-dioxide?
4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)thiane 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 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)thiane 1,1-dioxide is sourced from PubChem (CID 117148390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).