N-[2-(cyclohexen-1-yl)ethyl]-2-ethylsulfonylaniline

C16H23NO2S — CID 61146886

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-ethylsulfonylaniline
SMILESCCS(=O)(=O)c1ccccc1NCCC1=CCCCC1
InChIInChI=1S/C16H23NO2S/c1-2-20(18,19)16-11-7-6-10-15(16)17-13-12-14-8-4-3-5-9-14/h6-8,10-11,17H,2-5,9,12-13H2,1H3
InChIKeyDQUCVEKBSWFHQK-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.78
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-ethylsulfonylaniline

N-[2-(cyclohexen-1-yl)ethyl]-2-ethylsulfonylaniline (PubChem CID 61146886) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-ethylsulfonylaniline.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-ethylsulfonylaniline
PubChem CID61146886
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-ethylsulfonylaniline
SMILESCCS(=O)(=O)c1ccccc1NCCC1=CCCCC1
InChIInChI=1S/C16H23NO2S/c1-2-20(18,19)16-11-7-6-10-15(16)17-13-12-14-8-4-3-5-9-14/h6-8,10-11,17H,2-5,9,12-13H2,1H3
InChIKeyDQUCVEKBSWFHQK-UHFFFAOYSA-N
XLogP3.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.78
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-[2-(cyclohepten-1-yl)ethyl]-2-methylsulfonylaniline
CID 133477083
2-[2-(cyclohexen-1-yl)ethylamino]-N-ethylbenzenesulfonamide
CID 61147344
2-[2-(cyclohexen-1-yl)ethylamino]benzenesulfonamide
CID 61147190
2-ethylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]aniline
CID 99790091
N-(2-cyclohexyloxyethyl)-2-ethylsulfonylaniline
CID 63826664
N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377844
2-[2-(cyclohexen-1-yl)ethylamino]-5-(propylsulfamoyl)benzoic acid
CID 99981613
ethyl 2-[[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]amino]benzoate
CID 109014793
1-N-[2-(cyclohexen-1-yl)ethyl]-3-propoxybenzene-1,2-diamine
CID 107846137
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 56786800
4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 61147188
5-[[(2R)-butan-2-yl]sulfamoyl]-2-[2-(cyclohexen-1-yl)ethylamino]benzoic acid
CID 99982228

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-ethylsulfonylaniline?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-ethylsulfonylaniline (CID 61146886) is N-[2-(cyclohexen-1-yl)ethyl]-2-ethylsulfonylaniline.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-ethylsulfonylaniline?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-ethylsulfonylaniline is CCS(=O)(=O)c1ccccc1NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-ethylsulfonylaniline?
The InChIKey is DQUCVEKBSWFHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-2-20(18,19)16-11-7-6-10-15(16)17-13-12-14-8-4-3-5-9-14/h6-8,10-11,17H,2-5,9,12-13H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-ethylsulfonylaniline?
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylsulfonylaniline has a molecular weight of 293.43 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-ethylsulfonylaniline is sourced from PubChem (CID 61146886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).