5-(1-methylsulfonylpiperidin-4-yl)sulfinylimidazo[1,2-a]pyridine

C13H17N3O3S2 — CID 23362824

IUPAC5-(1-methylsulfonylpiperidin-4-yl)sulfinylimidazo[1,2-a]pyridine
SMILESCS(=O)(=O)N1CCC(S(=O)c2cccc3nccn23)CC1
InChIInChI=1S/C13H17N3O3S2/c1-21(18,19)15-8-5-11(6-9-15)20(17)13-4-2-3-12-14-7-10-16(12)13/h2-4,7,10-11H,5-6,8-9H2,1H3
InChIKeyMSWUPGFYINYEKO-UHFFFAOYSA-N
MW327.43 g/mol
LogP0.87
Rot. Bonds3

About 5-(1-methylsulfonylpiperidin-4-yl)sulfinylimidazo[1,2-a]pyridine

5-(1-methylsulfonylpiperidin-4-yl)sulfinylimidazo[1,2-a]pyridine (PubChem CID 23362824) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-(1-methylsulfonylpiperidin-4-yl)sulfinylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-(1-methylsulfonylpiperidin-4-yl)sulfinylimidazo[1,2-a]pyridine
PubChem CID23362824
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC Name5-(1-methylsulfonylpiperidin-4-yl)sulfinylimidazo[1,2-a]pyridine
SMILESCS(=O)(=O)N1CCC(S(=O)c2cccc3nccn23)CC1
InChIInChI=1S/C13H17N3O3S2/c1-21(18,19)15-8-5-11(6-9-15)20(17)13-4-2-3-12-14-7-10-16(12)13/h2-4,7,10-11H,5-6,8-9H2,1H3
InChIKeyMSWUPGFYINYEKO-UHFFFAOYSA-N
XLogP0.87
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylsulfonylpiperidin-4-yl)sulfinylimidazo[1,2-a]pyridine?
The IUPAC name of 5-(1-methylsulfonylpiperidin-4-yl)sulfinylimidazo[1,2-a]pyridine (CID 23362824) is 5-(1-methylsulfonylpiperidin-4-yl)sulfinylimidazo[1,2-a]pyridine.
What is the SMILES notation for 5-(1-methylsulfonylpiperidin-4-yl)sulfinylimidazo[1,2-a]pyridine?
The canonical SMILES for 5-(1-methylsulfonylpiperidin-4-yl)sulfinylimidazo[1,2-a]pyridine is CS(=O)(=O)N1CCC(S(=O)c2cccc3nccn23)CC1.
What is the InChIKey of 5-(1-methylsulfonylpiperidin-4-yl)sulfinylimidazo[1,2-a]pyridine?
The InChIKey is MSWUPGFYINYEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-21(18,19)15-8-5-11(6-9-15)20(17)13-4-2-3-12-14-7-10-16(12)13/h2-4,7,10-11H,5-6,8-9H2,1H3.
What are the key properties of 5-(1-methylsulfonylpiperidin-4-yl)sulfinylimidazo[1,2-a]pyridine?
5-(1-methylsulfonylpiperidin-4-yl)sulfinylimidazo[1,2-a]pyridine has a molecular weight of 327.43 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylsulfonylpiperidin-4-yl)sulfinylimidazo[1,2-a]pyridine is sourced from PubChem (CID 23362824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).