1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylphenyl)sulfonylpiperazine

C19H28N2O2S — CID 113073220

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylphenyl)sulfonylpiperazine
SMILESCc1ccccc1S(=O)(=O)N1CCN(CCC2=CCCCC2)CC1
InChIInChI=1S/C19H28N2O2S/c1-17-7-5-6-10-19(17)24(22,23)21-15-13-20(14-16-21)12-11-18-8-3-2-4-9-18/h5-8,10H,2-4,9,11-16H2,1H3
InChIKeyZDOXCOKMPDFGEX-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.19
Rot. Bonds5

About 1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylphenyl)sulfonylpiperazine

1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylphenyl)sulfonylpiperazine (PubChem CID 113073220) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylphenyl)sulfonylpiperazine
PubChem CID113073220
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylphenyl)sulfonylpiperazine
SMILESCc1ccccc1S(=O)(=O)N1CCN(CCC2=CCCCC2)CC1
InChIInChI=1S/C19H28N2O2S/c1-17-7-5-6-10-19(17)24(22,23)21-15-13-20(14-16-21)12-11-18-8-3-2-4-9-18/h5-8,10H,2-4,9,11-16H2,1H3
InChIKeyZDOXCOKMPDFGEX-UHFFFAOYSA-N
XLogP3.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
CID 113073201
1-[2-(cyclohexen-1-yl)ethyl]-4-ethylsulfonylpiperazine
CID 113073175
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
1-(2,2-dimethylpropyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 110290792
1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(cyclohexen-1-yl)ethyl]piperazine
CID 113073206
1-[2-(4-methylphenoxy)ethyl]-4-(2-methylphenyl)sulfonylpiperazine
CID 110638181
4-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylbutan-1-one
CID 110398574
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 113073116
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 113073115
1-(2-methylphenyl)sulfonyl-4-propylsulfonylpiperazine
CID 110819045
1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine
CID 17408313
1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 39627744

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylphenyl)sulfonylpiperazine (CID 113073220) is 1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylphenyl)sulfonylpiperazine is Cc1ccccc1S(=O)(=O)N1CCN(CCC2=CCCCC2)CC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylphenyl)sulfonylpiperazine?
The InChIKey is ZDOXCOKMPDFGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-17-7-5-6-10-19(17)24(22,23)21-15-13-20(14-16-21)12-11-18-8-3-2-4-9-18/h5-8,10H,2-4,9,11-16H2,1H3.
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylphenyl)sulfonylpiperazine?
1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylphenyl)sulfonylpiperazine has a molecular weight of 348.51 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 113073220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).