1-cyclohex-2-en-1-yl-4-(3,4-dimethylphenyl)sulfonylpiperazine

C18H26N2O2S — CID 56513505

IUPAC1-cyclohex-2-en-1-yl-4-(3,4-dimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C3C=CCCC3)CC2)cc1C
InChIInChI=1S/C18H26N2O2S/c1-15-8-9-18(14-16(15)2)23(21,22)20-12-10-19(11-13-20)17-6-4-3-5-7-17/h4,6,8-9,14,17H,3,5,7,10-13H2,1-2H3
InChIKeyRMJLUXPPVHMONP-UHFFFAOYSA-N
MW334.49 g/mol
LogP2.72
Rot. Bonds3

About 1-cyclohex-2-en-1-yl-4-(3,4-dimethylphenyl)sulfonylpiperazine

1-cyclohex-2-en-1-yl-4-(3,4-dimethylphenyl)sulfonylpiperazine (PubChem CID 56513505) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-4-(3,4-dimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-4-(3,4-dimethylphenyl)sulfonylpiperazine
PubChem CID56513505
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name1-cyclohex-2-en-1-yl-4-(3,4-dimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C3C=CCCC3)CC2)cc1C
InChIInChI=1S/C18H26N2O2S/c1-15-8-9-18(14-16(15)2)23(21,22)20-12-10-19(11-13-20)17-6-4-3-5-7-17/h4,6,8-9,14,17H,3,5,7,10-13H2,1-2H3
InChIKeyRMJLUXPPVHMONP-UHFFFAOYSA-N
XLogP2.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.72
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-cyclohex-2-en-1-yl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine
CID 56574060
1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110708923
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-cyclohex-2-en-1-ylpiperazine
CID 56512842
1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 113074953
1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110363746
1-(3,4-dimethylphenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799629
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
1-(azetidin-3-yl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 66203901
1-(3,4-dimethylphenyl)sulfonyl-4-propylsulfonyl-1,4-diazepane
CID 110799671
4-bromo-1-(3,4-dimethylphenyl)sulfonylpiperidine
CID 80673573
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 9327042
4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine
CID 82305650

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-4-(3,4-dimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-cyclohex-2-en-1-yl-4-(3,4-dimethylphenyl)sulfonylpiperazine (CID 56513505) is 1-cyclohex-2-en-1-yl-4-(3,4-dimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-4-(3,4-dimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-cyclohex-2-en-1-yl-4-(3,4-dimethylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(C3C=CCCC3)CC2)cc1C.
What is the InChIKey of 1-cyclohex-2-en-1-yl-4-(3,4-dimethylphenyl)sulfonylpiperazine?
The InChIKey is RMJLUXPPVHMONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-15-8-9-18(14-16(15)2)23(21,22)20-12-10-19(11-13-20)17-6-4-3-5-7-17/h4,6,8-9,14,17H,3,5,7,10-13H2,1-2H3.
What are the key properties of 1-cyclohex-2-en-1-yl-4-(3,4-dimethylphenyl)sulfonylpiperazine?
1-cyclohex-2-en-1-yl-4-(3,4-dimethylphenyl)sulfonylpiperazine has a molecular weight of 334.49 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-4-(3,4-dimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 56513505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).