2-(1-cyclopentylsulfonylpiperidin-4-yl)-5-methyl-1,3,4-oxadiazole

C13H21N3O3S — CID 110421409

IUPAC2-(1-cyclopentylsulfonylpiperidin-4-yl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C2CCN(S(=O)(=O)C3CCCC3)CC2)o1
InChIInChI=1S/C13H21N3O3S/c1-10-14-15-13(19-10)11-6-8-16(9-7-11)20(17,18)12-4-2-3-5-12/h11-12H,2-9H2,1H3
InChIKeyUBBWSFFWVFPSPS-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.83
Rot. Bonds3

About 2-(1-cyclopentylsulfonylpiperidin-4-yl)-5-methyl-1,3,4-oxadiazole

2-(1-cyclopentylsulfonylpiperidin-4-yl)-5-methyl-1,3,4-oxadiazole (PubChem CID 110421409) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-(1-cyclopentylsulfonylpiperidin-4-yl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-cyclopentylsulfonylpiperidin-4-yl)-5-methyl-1,3,4-oxadiazole
PubChem CID110421409
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-(1-cyclopentylsulfonylpiperidin-4-yl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C2CCN(S(=O)(=O)C3CCCC3)CC2)o1
InChIInChI=1S/C13H21N3O3S/c1-10-14-15-13(19-10)11-6-8-16(9-7-11)20(17,18)12-4-2-3-5-12/h11-12H,2-9H2,1H3
InChIKeyUBBWSFFWVFPSPS-UHFFFAOYSA-N
XLogP1.83
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1-cyclopentylsulfonylpiperidin-4-yl)-5-methyl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylsulfonylpiperidin-4-yl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-cyclopentylsulfonylpiperidin-4-yl)-5-methyl-1,3,4-oxadiazole (CID 110421409) is 2-(1-cyclopentylsulfonylpiperidin-4-yl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-cyclopentylsulfonylpiperidin-4-yl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-cyclopentylsulfonylpiperidin-4-yl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(C2CCN(S(=O)(=O)C3CCCC3)CC2)o1.
What is the InChIKey of 2-(1-cyclopentylsulfonylpiperidin-4-yl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is UBBWSFFWVFPSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-10-14-15-13(19-10)11-6-8-16(9-7-11)20(17,18)12-4-2-3-5-12/h11-12H,2-9H2,1H3.
What are the key properties of 2-(1-cyclopentylsulfonylpiperidin-4-yl)-5-methyl-1,3,4-oxadiazole?
2-(1-cyclopentylsulfonylpiperidin-4-yl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 299.40 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylsulfonylpiperidin-4-yl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 110421409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).