2-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]aniline

C15H23NO2S — CID 107419404

IUPAC2-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]aniline
SMILESCCS(=O)(=O)c1ccccc1NCC1CCCC1C
InChIInChI=1S/C15H23NO2S/c1-3-19(17,18)15-10-5-4-9-14(15)16-11-13-8-6-7-12(13)2/h4-5,9-10,12-13,16H,3,6-8,11H2,1-2H3
InChIKeyXILAVIFCRIOTSP-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.33
Rot. Bonds5

About 2-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]aniline

2-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]aniline (PubChem CID 107419404) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]aniline.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]aniline
PubChem CID107419404
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]aniline
SMILESCCS(=O)(=O)c1ccccc1NCC1CCCC1C
InChIInChI=1S/C15H23NO2S/c1-3-19(17,18)15-10-5-4-9-14(15)16-11-13-8-6-7-12(13)2/h4-5,9-10,12-13,16H,3,6-8,11H2,1-2H3
InChIKeyXILAVIFCRIOTSP-UHFFFAOYSA-N
XLogP3.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 107420501
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N-[(2-methylcyclopentyl)methyl]-3-methylsulfonyl-2-nitroaniline
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2-ethylsulfonyl-N-(oxan-4-ylmethyl)aniline
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N-(cyclobutylmethyl)-2-propylsulfonylaniline
CID 43383343
2-[(1S,2R)-2-(2-ethylsulfonylanilino)cyclopentyl]ethanol
CID 100666033
N'-cyclopropyl-N-(2-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
CID 55142006
N-(2-ethylsulfonylphenyl)cycloheptanamine
CID 43453589
N-(2-cyclohexyloxyethyl)-2-ethylsulfonylaniline
CID 63826664
2-(methylamino)-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107419522
N-(2-ethylsulfonylphenyl)-2-methylthian-3-amine
CID 79957215
cis-(1S,3R)-3-N-(2-ethylsulfonylphenyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 99858148

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]aniline?
The IUPAC name of 2-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]aniline (CID 107419404) is 2-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]aniline.
What is the SMILES notation for 2-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]aniline?
The canonical SMILES for 2-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]aniline is CCS(=O)(=O)c1ccccc1NCC1CCCC1C.
What is the InChIKey of 2-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]aniline?
The InChIKey is XILAVIFCRIOTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-19(17,18)15-10-5-4-9-14(15)16-11-13-8-6-7-12(13)2/h4-5,9-10,12-13,16H,3,6-8,11H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]aniline?
2-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]aniline has a molecular weight of 281.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]aniline is sourced from PubChem (CID 107419404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).