1-(4-methylcyclohexyl)-4-(4-methylphenyl)sulfonylpiperazine

C18H28N2O2S — CID 806921

IUPAC1-(4-methylcyclohexyl)-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C18H28N2O2S/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)23(21,22)18-9-5-16(2)6-10-18/h5-6,9-10,15,17H,3-4,7-8,11-14H2,1-2H3
InChIKeyCHKGOSMJOIAZMY-UHFFFAOYSA-N
MW336.50 g/mol
LogP2.88
Rot. Bonds3

About 1-(4-methylcyclohexyl)-4-(4-methylphenyl)sulfonylpiperazine

1-(4-methylcyclohexyl)-4-(4-methylphenyl)sulfonylpiperazine (PubChem CID 806921) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-4-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-4-(4-methylphenyl)sulfonylpiperazine
PubChem CID806921
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name1-(4-methylcyclohexyl)-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C18H28N2O2S/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)23(21,22)18-9-5-16(2)6-10-18/h5-6,9-10,15,17H,3-4,7-8,11-14H2,1-2H3
InChIKeyCHKGOSMJOIAZMY-UHFFFAOYSA-N
XLogP2.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-4-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-methylcyclohexyl)-4-(4-methylphenyl)sulfonylpiperazine (CID 806921) is 1-(4-methylcyclohexyl)-4-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-methylcyclohexyl)-4-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-methylcyclohexyl)-4-(4-methylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(C3CCC(C)CC3)CC2)cc1.
What is the InChIKey of 1-(4-methylcyclohexyl)-4-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is CHKGOSMJOIAZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)23(21,22)18-9-5-16(2)6-10-18/h5-6,9-10,15,17H,3-4,7-8,11-14H2,1-2H3.
What are the key properties of 1-(4-methylcyclohexyl)-4-(4-methylphenyl)sulfonylpiperazine?
1-(4-methylcyclohexyl)-4-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 336.50 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-4-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 806921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).