2-ethylsulfonyl-N-(2,4,4-trimethylcyclopentyl)aniline

C16H25NO2S — CID 106662154

IUPAC2-ethylsulfonyl-N-(2,4,4-trimethylcyclopentyl)aniline
SMILESCCS(=O)(=O)c1ccccc1NC1CC(C)(C)CC1C
InChIInChI=1S/C16H25NO2S/c1-5-20(18,19)15-9-7-6-8-13(15)17-14-11-16(3,4)10-12(14)2/h6-9,12,14,17H,5,10-11H2,1-4H3
InChIKeyZRZYIZJHSDQNQH-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.72
Rot. Bonds4

About 2-ethylsulfonyl-N-(2,4,4-trimethylcyclopentyl)aniline

2-ethylsulfonyl-N-(2,4,4-trimethylcyclopentyl)aniline (PubChem CID 106662154) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(2,4,4-trimethylcyclopentyl)aniline.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(2,4,4-trimethylcyclopentyl)aniline
PubChem CID106662154
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name2-ethylsulfonyl-N-(2,4,4-trimethylcyclopentyl)aniline
SMILESCCS(=O)(=O)c1ccccc1NC1CC(C)(C)CC1C
InChIInChI=1S/C16H25NO2S/c1-5-20(18,19)15-9-7-6-8-13(15)17-14-11-16(3,4)10-12(14)2/h6-9,12,14,17H,5,10-11H2,1-4H3
InChIKeyZRZYIZJHSDQNQH-UHFFFAOYSA-N
XLogP3.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661600
N-(2-ethylsulfonylphenyl)-2-methylthian-3-amine
CID 79957215
2-(pyrrolidin-1-ylmethyl)-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662123
(4S)-N-(2-ethylsulfonylphenyl)-4-methoxypyrrolidin-3-amine
CID 43598929
N-(2-ethylsulfonylphenyl)cycloheptanamine
CID 43453589
N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661502
2-(difluoromethylsulfanyl)-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661548
2-[(1S,2R)-2-(2-ethylsulfonylanilino)cyclopentyl]ethanol
CID 100666033
N-(2-ethylsulfonylphenyl)oxan-4-amine
CID 43610395
2-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]benzenesulfonamide
CID 81303161
4-(2-ethylsulfonylanilino)-3-methyloxolane-3-carboxylic acid
CID 66250693
N-(2-ethylsulfonylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863699

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(2,4,4-trimethylcyclopentyl)aniline?
The IUPAC name of 2-ethylsulfonyl-N-(2,4,4-trimethylcyclopentyl)aniline (CID 106662154) is 2-ethylsulfonyl-N-(2,4,4-trimethylcyclopentyl)aniline.
What is the SMILES notation for 2-ethylsulfonyl-N-(2,4,4-trimethylcyclopentyl)aniline?
The canonical SMILES for 2-ethylsulfonyl-N-(2,4,4-trimethylcyclopentyl)aniline is CCS(=O)(=O)c1ccccc1NC1CC(C)(C)CC1C.
What is the InChIKey of 2-ethylsulfonyl-N-(2,4,4-trimethylcyclopentyl)aniline?
The InChIKey is ZRZYIZJHSDQNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-5-20(18,19)15-9-7-6-8-13(15)17-14-11-16(3,4)10-12(14)2/h6-9,12,14,17H,5,10-11H2,1-4H3.
What are the key properties of 2-ethylsulfonyl-N-(2,4,4-trimethylcyclopentyl)aniline?
2-ethylsulfonyl-N-(2,4,4-trimethylcyclopentyl)aniline has a molecular weight of 295.45 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(2,4,4-trimethylcyclopentyl)aniline is sourced from PubChem (CID 106662154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).