1-cyclohexyl-4-[1-(4-methylphenyl)sulfonylpropan-2-yl]piperazine

C20H32N2O2S — CID 3988625

IUPAC1-cyclohexyl-4-[1-(4-methylphenyl)sulfonylpropan-2-yl]piperazine
SMILESCc1ccc(S(=O)(=O)CC(C)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C20H32N2O2S/c1-17-8-10-20(11-9-17)25(23,24)16-18(2)21-12-14-22(15-13-21)19-6-4-3-5-7-19/h8-11,18-19H,3-7,12-16H2,1-2H3
InChIKeyUIZKDSHCVHNTIL-UHFFFAOYSA-N
MW364.56 g/mol
LogP3.11
Rot. Bonds5

About 1-cyclohexyl-4-[1-(4-methylphenyl)sulfonylpropan-2-yl]piperazine

1-cyclohexyl-4-[1-(4-methylphenyl)sulfonylpropan-2-yl]piperazine (PubChem CID 3988625) has the molecular formula C20H32N2O2S and a molecular weight of 364.56 g/mol. Its IUPAC name is 1-cyclohexyl-4-[1-(4-methylphenyl)sulfonylpropan-2-yl]piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[1-(4-methylphenyl)sulfonylpropan-2-yl]piperazine
PubChem CID3988625
Molecular FormulaC20H32N2O2S
Molecular Weight364.56 g/mol
Exact Mass364.22
IUPAC Name1-cyclohexyl-4-[1-(4-methylphenyl)sulfonylpropan-2-yl]piperazine
SMILESCc1ccc(S(=O)(=O)CC(C)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C20H32N2O2S/c1-17-8-10-20(11-9-17)25(23,24)16-18(2)21-12-14-22(15-13-21)19-6-4-3-5-7-19/h8-11,18-19H,3-7,12-16H2,1-2H3
InChIKeyUIZKDSHCVHNTIL-UHFFFAOYSA-N
XLogP3.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[1-(4-methylphenyl)sulfonylpropan-2-yl]piperazine?
The IUPAC name of 1-cyclohexyl-4-[1-(4-methylphenyl)sulfonylpropan-2-yl]piperazine (CID 3988625) is 1-cyclohexyl-4-[1-(4-methylphenyl)sulfonylpropan-2-yl]piperazine.
What is the SMILES notation for 1-cyclohexyl-4-[1-(4-methylphenyl)sulfonylpropan-2-yl]piperazine?
The canonical SMILES for 1-cyclohexyl-4-[1-(4-methylphenyl)sulfonylpropan-2-yl]piperazine is Cc1ccc(S(=O)(=O)CC(C)N2CCN(C3CCCCC3)CC2)cc1.
What is the InChIKey of 1-cyclohexyl-4-[1-(4-methylphenyl)sulfonylpropan-2-yl]piperazine?
The InChIKey is UIZKDSHCVHNTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2S/c1-17-8-10-20(11-9-17)25(23,24)16-18(2)21-12-14-22(15-13-21)19-6-4-3-5-7-19/h8-11,18-19H,3-7,12-16H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-[1-(4-methylphenyl)sulfonylpropan-2-yl]piperazine?
1-cyclohexyl-4-[1-(4-methylphenyl)sulfonylpropan-2-yl]piperazine has a molecular weight of 364.56 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[1-(4-methylphenyl)sulfonylpropan-2-yl]piperazine is sourced from PubChem (CID 3988625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).