2-ethylsulfonyl-N-(3-methoxy-3-methylbutyl)aniline

C14H23NO3S — CID 106675293

IUPAC2-ethylsulfonyl-N-(3-methoxy-3-methylbutyl)aniline
SMILESCCS(=O)(=O)c1ccccc1NCCC(C)(C)OC
InChIInChI=1S/C14H23NO3S/c1-5-19(16,17)13-9-7-6-8-12(13)15-11-10-14(2,3)18-4/h6-9,15H,5,10-11H2,1-4H3
InChIKeyBACOVOJNYKUBNI-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.71
Rot. Bonds7

About 2-ethylsulfonyl-N-(3-methoxy-3-methylbutyl)aniline

2-ethylsulfonyl-N-(3-methoxy-3-methylbutyl)aniline (PubChem CID 106675293) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(3-methoxy-3-methylbutyl)aniline.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(3-methoxy-3-methylbutyl)aniline
PubChem CID106675293
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name2-ethylsulfonyl-N-(3-methoxy-3-methylbutyl)aniline
SMILESCCS(=O)(=O)c1ccccc1NCCC(C)(C)OC
InChIInChI=1S/C14H23NO3S/c1-5-19(16,17)13-9-7-6-8-12(13)15-11-10-14(2,3)18-4/h6-9,15H,5,10-11H2,1-4H3
InChIKeyBACOVOJNYKUBNI-UHFFFAOYSA-N
XLogP2.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethylsulfonyl-N-(3-methoxy-3-methylbutyl)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

N-(3,3-dimethylbutyl)-2-ethylsulfonylaniline
CID 62951511
N-[2-[(3-methoxy-3-methylbutyl)amino]phenyl]methanesulfonamide
CID 106675317
2-fluoro-N-(3-methoxy-3-methylbutyl)aniline
CID 102975543
2-ethylsulfonyl-N-(4-methylpentyl)aniline
CID 54913636
2-(chloromethyl)-N-(3-methoxy-3-methylbutyl)aniline
CID 103037176
2-ethylsulfonyl-N-(2-piperidin-4-yloxyethyl)aniline
CID 63870510
5-(2-ethylsulfonylanilino)-2-methylpentan-1-ol
CID 102846516
N-(2-cyclohexyloxyethyl)-2-ethylsulfonylaniline
CID 63826664
N'-cyclopropyl-N-(2-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
CID 55142006
N-(2-ethylsulfonylphenyl)pyrrol-1-amine
CID 79106671
2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 62951903
2-(2-ethylsulfonylanilino)-2-methylpropan-1-ol
CID 43500186

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(3-methoxy-3-methylbutyl)aniline?
The IUPAC name of 2-ethylsulfonyl-N-(3-methoxy-3-methylbutyl)aniline (CID 106675293) is 2-ethylsulfonyl-N-(3-methoxy-3-methylbutyl)aniline.
What is the SMILES notation for 2-ethylsulfonyl-N-(3-methoxy-3-methylbutyl)aniline?
The canonical SMILES for 2-ethylsulfonyl-N-(3-methoxy-3-methylbutyl)aniline is CCS(=O)(=O)c1ccccc1NCCC(C)(C)OC.
What is the InChIKey of 2-ethylsulfonyl-N-(3-methoxy-3-methylbutyl)aniline?
The InChIKey is BACOVOJNYKUBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-5-19(16,17)13-9-7-6-8-12(13)15-11-10-14(2,3)18-4/h6-9,15H,5,10-11H2,1-4H3.
What are the key properties of 2-ethylsulfonyl-N-(3-methoxy-3-methylbutyl)aniline?
2-ethylsulfonyl-N-(3-methoxy-3-methylbutyl)aniline has a molecular weight of 285.41 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(3-methoxy-3-methylbutyl)aniline is sourced from PubChem (CID 106675293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).