1-cyclohexyl-4-(4-methylphenyl)sulfonylpiperazine

C17H26N2O2S — CID 787145

IUPAC1-cyclohexyl-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C17H26N2O2S/c1-15-7-9-17(10-8-15)22(20,21)19-13-11-18(12-14-19)16-5-3-2-4-6-16/h7-10,16H,2-6,11-14H2,1H3
InChIKeyCVJOTHHZJDOIJB-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.63
Rot. Bonds3

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

1-cyclohexyl-4-(4-methylphenyl)sulfonylpiperazine (PubChem CID 787145) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 1-cyclohexyl-4-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-(4-methylphenyl)sulfonylpiperazine
PubChem CID787145
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name1-cyclohexyl-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C17H26N2O2S/c1-15-7-9-17(10-8-15)22(20,21)19-13-11-18(12-14-19)16-5-3-2-4-6-16/h7-10,16H,2-6,11-14H2,1H3
InChIKeyCVJOTHHZJDOIJB-UHFFFAOYSA-N
XLogP2.63
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 5312148
1-Methyl-4-(para-tolylsulfonyl)-piperazine
CID 269717
1-(4-Methylbenzenesulfonyl)piperazine
CID 704295
SB-258741
CID 9863250
(1S,4S)-2-(4-tert-butylphenylsulfonyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 25192959
(1S,4S)-2-(4-tert-butylphenylsulfonyl)-5-cyclopentyl-2,5-diazabicyclo[2.2.1]heptane
CID 25193102
1'-(Mesitylsulfonyl)-4-methyl-1,4'-bipiperidine
CID 91664325
1'-([1,1'-Biphenyl]-2-ylsulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308394
1-(Benzenesulfonyl)-4-benzylpiperazine
CID 711024
3-Methyl-1-[(4-methylphenyl)sulfonyl]piperidine
CID 2842402
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CID 2911561

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-cyclohexyl-4-(4-methylphenyl)sulfonylpiperazine (CID 787145) is 1-cyclohexyl-4-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-cyclohexyl-4-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-cyclohexyl-4-(4-methylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)cc1.
What is the InChIKey of 1-cyclohexyl-4-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is CVJOTHHZJDOIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-15-7-9-17(10-8-15)22(20,21)19-13-11-18(12-14-19)16-5-3-2-4-6-16/h7-10,16H,2-6,11-14H2,1H3.
What are the key properties of 1-cyclohexyl-4-(4-methylphenyl)sulfonylpiperazine?
1-cyclohexyl-4-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 322.47 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 787145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).