4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzenesulfonamide

C16H24N2O2S — CID 61147188

IUPAC4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCCC2=CCCCC2)cc1
InChIInChI=1S/C16H24N2O2S/c1-18(2)21(19,20)16-10-8-15(9-11-16)17-13-12-14-6-4-3-5-7-14/h6,8-11,17H,3-5,7,12-13H2,1-2H3
InChIKeyCYOLIEARZHOFGE-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.24
Rot. Bonds6

About 4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzenesulfonamide

4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 61147188) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID61147188
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCCC2=CCCCC2)cc1
InChIInChI=1S/C16H24N2O2S/c1-18(2)21(19,20)16-10-8-15(9-11-16)17-13-12-14-6-4-3-5-7-14/h6,8-11,17H,3-5,7,12-13H2,1-2H3
InChIKeyCYOLIEARZHOFGE-UHFFFAOYSA-N
XLogP3.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-3-methylbenzenesulfonamide
CID 112980883
4-(2-cyclopentyloxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 63827194
N-[2-(cyclopenten-1-yl)ethyl]-4-nitroaniline
CID 103844182
4-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,4-diamine
CID 106166027
4-chloro-N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]benzenesulfonamide
CID 113024995
3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide
CID 60926501
N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112980886
3-amino-5-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 107855833
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110295859
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2648906
4-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide
CID 62640164

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzenesulfonamide (CID 61147188) is 4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(NCCC2=CCCCC2)cc1.
What is the InChIKey of 4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is CYOLIEARZHOFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-18(2)21(19,20)16-10-8-15(9-11-16)17-13-12-14-6-4-3-5-7-14/h6,8-11,17H,3-5,7,12-13H2,1-2H3.
What are the key properties of 4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzenesulfonamide?
4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 308.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 61147188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).