(4-methylsulfonylpiperazin-1-yl)-piperidin-1-ylmethanone

C11H21N3O3S — CID 113220293

IUPAC(4-methylsulfonylpiperazin-1-yl)-piperidin-1-ylmethanone
SMILESCS(=O)(=O)N1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C11H21N3O3S/c1-18(16,17)14-9-7-13(8-10-14)11(15)12-5-3-2-4-6-12/h2-10H2,1H3
InChIKeyIMJCKJWECZMYFO-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.17
Rot. Bonds1

About (4-methylsulfonylpiperazin-1-yl)-piperidin-1-ylmethanone

(4-methylsulfonylpiperazin-1-yl)-piperidin-1-ylmethanone (PubChem CID 113220293) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is (4-methylsulfonylpiperazin-1-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-methylsulfonylpiperazin-1-yl)-piperidin-1-ylmethanone
PubChem CID113220293
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name(4-methylsulfonylpiperazin-1-yl)-piperidin-1-ylmethanone
SMILESCS(=O)(=O)N1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C11H21N3O3S/c1-18(16,17)14-9-7-13(8-10-14)11(15)12-5-3-2-4-6-12/h2-10H2,1H3
InChIKeyIMJCKJWECZMYFO-UHFFFAOYSA-N
XLogP0.17
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methylsulfonylpiperazin-1-yl)-piperidin-1-ylmethanone 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 (4-methylsulfonylpiperazin-1-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4-methylsulfonylpiperazin-1-yl)-piperidin-1-ylmethanone (CID 113220293) is (4-methylsulfonylpiperazin-1-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-methylsulfonylpiperazin-1-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-methylsulfonylpiperazin-1-yl)-piperidin-1-ylmethanone is CS(=O)(=O)N1CCN(C(=O)N2CCCCC2)CC1.
What is the InChIKey of (4-methylsulfonylpiperazin-1-yl)-piperidin-1-ylmethanone?
The InChIKey is IMJCKJWECZMYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-18(16,17)14-9-7-13(8-10-14)11(15)12-5-3-2-4-6-12/h2-10H2,1H3.
What are the key properties of (4-methylsulfonylpiperazin-1-yl)-piperidin-1-ylmethanone?
(4-methylsulfonylpiperazin-1-yl)-piperidin-1-ylmethanone has a molecular weight of 275.37 g/mol, XLogP of 0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylpiperazin-1-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 113220293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).