2-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline

C15H23NO2S — CID 107414093

IUPAC2-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline
SMILESCCS(=O)(=O)c1ccccc1NCC1CCC(C)C1
InChIInChI=1S/C15H23NO2S/c1-3-19(17,18)15-7-5-4-6-14(15)16-11-13-9-8-12(2)10-13/h4-7,12-13,16H,3,8-11H2,1-2H3
InChIKeyVVKQKSGYJYVPQE-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.33
Rot. Bonds5

About 2-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline

2-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline (PubChem CID 107414093) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline
PubChem CID107414093
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline
SMILESCCS(=O)(=O)c1ccccc1NCC1CCC(C)C1
InChIInChI=1S/C15H23NO2S/c1-3-19(17,18)15-7-5-4-6-14(15)16-11-13-9-8-12(2)10-13/h4-7,12-13,16H,3,8-11H2,1-2H3
InChIKeyVVKQKSGYJYVPQE-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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2-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]aniline
CID 107419404
N-(3-ethylcyclopentyl)-2-ethylsulfonylaniline
CID 64500030
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N-(oxan-3-ylmethyl)-2-propylsulfonylaniline
CID 61020152
N'-cyclopropyl-N-(2-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
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N-(2-ethylsulfonylphenyl)cycloheptanamine
CID 43453589
N-[(1,1-dioxothiolan-2-yl)methyl]-2-propylsulfonylaniline
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N-(2-ethylsulfonylphenyl)-1-methylpyrrolidin-3-amine
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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline?
The IUPAC name of 2-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline (CID 107414093) is 2-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline.
What is the SMILES notation for 2-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline?
The canonical SMILES for 2-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline is CCS(=O)(=O)c1ccccc1NCC1CCC(C)C1.
What is the InChIKey of 2-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline?
The InChIKey is VVKQKSGYJYVPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-19(17,18)15-7-5-4-6-14(15)16-11-13-9-8-12(2)10-13/h4-7,12-13,16H,3,8-11H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline?
2-ethylsulfonyl-N-[(3-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-[(3-methylcyclopentyl)methyl]aniline is sourced from PubChem (CID 107414093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).