2-ethylsulfonyl-N-(4-methylpentyl)aniline

C14H23NO2S — CID 54913636

IUPAC2-ethylsulfonyl-N-(4-methylpentyl)aniline
SMILESCCS(=O)(=O)c1ccccc1NCCCC(C)C
InChIInChI=1S/C14H23NO2S/c1-4-18(16,17)14-10-6-5-9-13(14)15-11-7-8-12(2)3/h5-6,9-10,12,15H,4,7-8,11H2,1-3H3
InChIKeyMDVSUWLSCTYDKM-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.33
Rot. Bonds7

About 2-ethylsulfonyl-N-(4-methylpentyl)aniline

2-ethylsulfonyl-N-(4-methylpentyl)aniline (PubChem CID 54913636) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(4-methylpentyl)aniline.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(4-methylpentyl)aniline
PubChem CID54913636
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name2-ethylsulfonyl-N-(4-methylpentyl)aniline
SMILESCCS(=O)(=O)c1ccccc1NCCCC(C)C
InChIInChI=1S/C14H23NO2S/c1-4-18(16,17)14-10-6-5-9-13(14)15-11-7-8-12(2)3/h5-6,9-10,12,15H,4,7-8,11H2,1-3H3
InChIKeyMDVSUWLSCTYDKM-UHFFFAOYSA-N
XLogP3.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethylsulfonyl-N-(4-methylpentyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-ethylsulfonylanilino)-2-methylpentan-1-ol
CID 102846516
N-ethyl-2-(4-methylpentylamino)benzenesulfonamide
CID 54913733
N-(3,3-dimethylbutyl)-2-ethylsulfonylaniline
CID 62951511
2-(3-methylbutylamino)benzenesulfonamide
CID 43454227
2-ethylsulfonyl-N-(3-methoxy-3-methylbutyl)aniline
CID 106675293
N-(2-chloro-4-methylpentyl)-2-ethylsulfonylaniline
CID 107156379
2-ethylsulfonyl-N-(3-methylbutan-2-yl)aniline
CID 43453587
2-methyl-N'-(2-methylsulfonylphenyl)pentane-1,5-diamine
CID 114151164
2-methoxy-N-(4-methylpentyl)aniline
CID 83156470
2-(4-methylpentylamino)benzenecarbothioamide
CID 63004209
2-ethylsulfonyl-N-[(1-propan-2-ylcyclopropyl)methyl]aniline
CID 102846486
2-(4-aminopentylamino)-N-cyclopropylbenzenesulfonamide
CID 106127786

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(4-methylpentyl)aniline?
The IUPAC name of 2-ethylsulfonyl-N-(4-methylpentyl)aniline (CID 54913636) is 2-ethylsulfonyl-N-(4-methylpentyl)aniline.
What is the SMILES notation for 2-ethylsulfonyl-N-(4-methylpentyl)aniline?
The canonical SMILES for 2-ethylsulfonyl-N-(4-methylpentyl)aniline is CCS(=O)(=O)c1ccccc1NCCCC(C)C.
What is the InChIKey of 2-ethylsulfonyl-N-(4-methylpentyl)aniline?
The InChIKey is MDVSUWLSCTYDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-4-18(16,17)14-10-6-5-9-13(14)15-11-7-8-12(2)3/h5-6,9-10,12,15H,4,7-8,11H2,1-3H3.
What are the key properties of 2-ethylsulfonyl-N-(4-methylpentyl)aniline?
2-ethylsulfonyl-N-(4-methylpentyl)aniline has a molecular weight of 269.41 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(4-methylpentyl)aniline is sourced from PubChem (CID 54913636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).