1-benzylsulfonyl-4-(4-methylcyclohexyl)piperazine

C18H28N2O2S — CID 1151775

IUPAC1-benzylsulfonyl-4-(4-methylcyclohexyl)piperazine
SMILESCC1CCC(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1
InChIInChI=1S/C18H28N2O2S/c1-16-7-9-18(10-8-16)19-11-13-20(14-12-19)23(21,22)15-17-5-3-2-4-6-17/h2-6,16,18H,7-15H2,1H3
InChIKeyHVWWMTMXVBFEMB-UHFFFAOYSA-N
MW336.50 g/mol
LogP2.71
Rot. Bonds4

About 1-benzylsulfonyl-4-(4-methylcyclohexyl)piperazine

1-benzylsulfonyl-4-(4-methylcyclohexyl)piperazine (PubChem CID 1151775) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 1-benzylsulfonyl-4-(4-methylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-benzylsulfonyl-4-(4-methylcyclohexyl)piperazine
PubChem CID1151775
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name1-benzylsulfonyl-4-(4-methylcyclohexyl)piperazine
SMILESCC1CCC(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1
InChIInChI=1S/C18H28N2O2S/c1-16-7-9-18(10-8-16)19-11-13-20(14-12-19)23(21,22)15-17-5-3-2-4-6-17/h2-6,16,18H,7-15H2,1H3
InChIKeyHVWWMTMXVBFEMB-UHFFFAOYSA-N
XLogP2.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzylsulfonyl-4-(4-methylcyclohexyl)piperazine 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 1-benzylsulfonyl-4-(4-methylcyclohexyl)piperazine?
The IUPAC name of 1-benzylsulfonyl-4-(4-methylcyclohexyl)piperazine (CID 1151775) is 1-benzylsulfonyl-4-(4-methylcyclohexyl)piperazine.
What is the SMILES notation for 1-benzylsulfonyl-4-(4-methylcyclohexyl)piperazine?
The canonical SMILES for 1-benzylsulfonyl-4-(4-methylcyclohexyl)piperazine is CC1CCC(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-benzylsulfonyl-4-(4-methylcyclohexyl)piperazine?
The InChIKey is HVWWMTMXVBFEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-16-7-9-18(10-8-16)19-11-13-20(14-12-19)23(21,22)15-17-5-3-2-4-6-17/h2-6,16,18H,7-15H2,1H3.
What are the key properties of 1-benzylsulfonyl-4-(4-methylcyclohexyl)piperazine?
1-benzylsulfonyl-4-(4-methylcyclohexyl)piperazine has a molecular weight of 336.50 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-4-(4-methylcyclohexyl)piperazine is sourced from PubChem (CID 1151775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).