N-(2-cyclohexyloxyethyl)-2-ethylsulfonylaniline

C16H25NO3S — CID 63826664

IUPACN-(2-cyclohexyloxyethyl)-2-ethylsulfonylaniline
SMILESCCS(=O)(=O)c1ccccc1NCCOC1CCCCC1
InChIInChI=1S/C16H25NO3S/c1-2-21(18,19)16-11-7-6-10-15(16)17-12-13-20-14-8-4-3-5-9-14/h6-7,10-11,14,17H,2-5,8-9,12-13H2,1H3
InChIKeyUFLDAQJBUPDLRL-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.24
Rot. Bonds7

About N-(2-cyclohexyloxyethyl)-2-ethylsulfonylaniline

N-(2-cyclohexyloxyethyl)-2-ethylsulfonylaniline (PubChem CID 63826664) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-2-ethylsulfonylaniline.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-2-ethylsulfonylaniline
PubChem CID63826664
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN-(2-cyclohexyloxyethyl)-2-ethylsulfonylaniline
SMILESCCS(=O)(=O)c1ccccc1NCCOC1CCCCC1
InChIInChI=1S/C16H25NO3S/c1-2-21(18,19)16-11-7-6-10-15(16)17-12-13-20-14-8-4-3-5-9-14/h6-7,10-11,14,17H,2-5,8-9,12-13H2,1H3
InChIKeyUFLDAQJBUPDLRL-UHFFFAOYSA-N
XLogP3.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethylsulfonyl-N-(2-piperidin-4-yloxyethyl)aniline
CID 63870510
N-(2-ethylsulfonylphenyl)cycloheptanamine
CID 43453589
2-bromo-N-(2-cyclohexyloxyethyl)aniline
CID 55088144
2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 61059255
2-amino-3-(2-cyclopentyloxyethylamino)benzenesulfonamide
CID 115992752
N'-cyclopropyl-N-(2-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
CID 55142006
N-(2-cyclopentyloxyethyl)benzenesulfonamide
CID 61060137
N-(3,3-dimethylbutyl)-2-ethylsulfonylaniline
CID 62951511
2-ethylsulfonyl-N-(4-methylpentyl)aniline
CID 54913636
2-ethylsulfonyl-N-(oxan-4-ylmethyl)aniline
CID 62385978
N-(cyclohexylmethyl)-2-(propylamino)benzenesulfonamide
CID 62146052
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylsulfonylaniline
CID 61146886

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-2-ethylsulfonylaniline?
The IUPAC name of N-(2-cyclohexyloxyethyl)-2-ethylsulfonylaniline (CID 63826664) is N-(2-cyclohexyloxyethyl)-2-ethylsulfonylaniline.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-2-ethylsulfonylaniline?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-2-ethylsulfonylaniline is CCS(=O)(=O)c1ccccc1NCCOC1CCCCC1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-2-ethylsulfonylaniline?
The InChIKey is UFLDAQJBUPDLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-2-21(18,19)16-11-7-6-10-15(16)17-12-13-20-14-8-4-3-5-9-14/h6-7,10-11,14,17H,2-5,8-9,12-13H2,1H3.
What are the key properties of N-(2-cyclohexyloxyethyl)-2-ethylsulfonylaniline?
N-(2-cyclohexyloxyethyl)-2-ethylsulfonylaniline has a molecular weight of 311.45 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-2-ethylsulfonylaniline is sourced from PubChem (CID 63826664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).