cyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone

C20H30N2O3S — CID 3874660

IUPACcyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C20H30N2O3S/c1-16(2)17-8-10-19(11-9-17)26(24,25)22-14-12-21(13-15-22)20(23)18-6-4-3-5-7-18/h8-11,16,18H,3-7,12-15H2,1-2H3
InChIKeyBYWLBLGQABYEFQ-UHFFFAOYSA-N
MW378.54 g/mol
LogP3.22
Rot. Bonds4

About cyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone

cyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 3874660) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is cyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID3874660
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC Namecyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C20H30N2O3S/c1-16(2)17-8-10-19(11-9-17)26(24,25)22-14-12-21(13-15-22)20(23)18-6-4-3-5-7-18/h8-11,16,18H,3-7,12-15H2,1-2H3
InChIKeyBYWLBLGQABYEFQ-UHFFFAOYSA-N
XLogP3.22
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone 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 cyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone (CID 3874660) is cyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone is CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1.
What is the InChIKey of cyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is BYWLBLGQABYEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-16(2)17-8-10-19(11-9-17)26(24,25)22-14-12-21(13-15-22)20(23)18-6-4-3-5-7-18/h8-11,16,18H,3-7,12-15H2,1-2H3.
What are the key properties of cyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
cyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 378.54 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 3874660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).