4-(cyclohexylmethylsulfonyl)-3,3-dimethylpiperazin-2-one

C13H24N2O3S — CID 55215552

IUPAC4-(cyclohexylmethylsulfonyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C13H24N2O3S/c1-13(2)12(16)14-8-9-15(13)19(17,18)10-11-6-4-3-5-7-11/h11H,3-10H2,1-2H3,(H,14,16)
InChIKeyINKZIMNHFMFZMV-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.11
Rot. Bonds3

About 4-(cyclohexylmethylsulfonyl)-3,3-dimethylpiperazin-2-one

4-(cyclohexylmethylsulfonyl)-3,3-dimethylpiperazin-2-one (PubChem CID 55215552) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 4-(cyclohexylmethylsulfonyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(cyclohexylmethylsulfonyl)-3,3-dimethylpiperazin-2-one
PubChem CID55215552
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name4-(cyclohexylmethylsulfonyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C13H24N2O3S/c1-13(2)12(16)14-8-9-15(13)19(17,18)10-11-6-4-3-5-7-11/h11H,3-10H2,1-2H3,(H,14,16)
InChIKeyINKZIMNHFMFZMV-UHFFFAOYSA-N
XLogP1.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(cyclohexylmethylsulfonyl)-3,3-dimethylpiperazin-2-one 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-(cyclohexylmethylsulfonyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(cyclohexylmethylsulfonyl)-3,3-dimethylpiperazin-2-one (CID 55215552) is 4-(cyclohexylmethylsulfonyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(cyclohexylmethylsulfonyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(cyclohexylmethylsulfonyl)-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1S(=O)(=O)CC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethylsulfonyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is INKZIMNHFMFZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-13(2)12(16)14-8-9-15(13)19(17,18)10-11-6-4-3-5-7-11/h11H,3-10H2,1-2H3,(H,14,16).
What are the key properties of 4-(cyclohexylmethylsulfonyl)-3,3-dimethylpiperazin-2-one?
4-(cyclohexylmethylsulfonyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 288.41 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethylsulfonyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 55215552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).