1-[2-(cyclohexen-1-yl)ethyl]-4-ethylsulfonylpiperazine

C14H26N2O2S — CID 113073175

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(CCC2=CCCCC2)CC1
InChIInChI=1S/C14H26N2O2S/c1-2-19(17,18)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h6H,2-5,7-13H2,1H3
InChIKeyJOUBNMRVHRGVAP-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.84
Rot. Bonds5

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

1-[2-(cyclohexen-1-yl)ethyl]-4-ethylsulfonylpiperazine (PubChem CID 113073175) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-4-ethylsulfonylpiperazine.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-4-ethylsulfonylpiperazine
PubChem CID113073175
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(CCC2=CCCCC2)CC1
InChIInChI=1S/C14H26N2O2S/c1-2-19(17,18)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h6H,2-5,7-13H2,1H3
InChIKeyJOUBNMRVHRGVAP-UHFFFAOYSA-N
XLogP1.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.84
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-methylphenyl)sulfonylpiperazine
CID 113073220
1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
CID 113073201
1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(cyclohexen-1-yl)ethyl]piperazine
CID 113073206
2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]acetic acid
CID 82119731
2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-2-oxoacetic acid
CID 82122805
1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine;trifluoroborane
CID 10944742
1-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethylpiperazine
CID 82287017
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 113073116
1-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxylic acid
CID 82476753
cyclobutyl-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]methanone
CID 113073170
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 113073115
4-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexylpiperazine-1-carboxamide
CID 113073163

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-4-ethylsulfonylpiperazine?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-4-ethylsulfonylpiperazine (CID 113073175) is 1-[2-(cyclohexen-1-yl)ethyl]-4-ethylsulfonylpiperazine.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-4-ethylsulfonylpiperazine?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-4-ethylsulfonylpiperazine is CCS(=O)(=O)N1CCN(CCC2=CCCCC2)CC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-4-ethylsulfonylpiperazine?
The InChIKey is JOUBNMRVHRGVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-2-19(17,18)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h6H,2-5,7-13H2,1H3.
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-4-ethylsulfonylpiperazine?
1-[2-(cyclohexen-1-yl)ethyl]-4-ethylsulfonylpiperazine has a molecular weight of 286.44 g/mol, XLogP of 1.84, 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-ethylsulfonylpiperazine is sourced from PubChem (CID 113073175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).