N-(3-ethylcyclopentyl)-2-ethylsulfonylaniline

C15H23NO2S — CID 64500030

IUPACN-(3-ethylcyclopentyl)-2-ethylsulfonylaniline
SMILESCCC1CCC(Nc2ccccc2S(=O)(=O)CC)C1
InChIInChI=1S/C15H23NO2S/c1-3-12-9-10-13(11-12)16-14-7-5-6-8-15(14)19(17,18)4-2/h5-8,12-13,16H,3-4,9-11H2,1-2H3
InChIKeyIPMQBLLVZWNORX-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.47
Rot. Bonds5

About N-(3-ethylcyclopentyl)-2-ethylsulfonylaniline

N-(3-ethylcyclopentyl)-2-ethylsulfonylaniline (PubChem CID 64500030) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(3-ethylcyclopentyl)-2-ethylsulfonylaniline.

Molecular Properties

Compound NameN-(3-ethylcyclopentyl)-2-ethylsulfonylaniline
PubChem CID64500030
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-(3-ethylcyclopentyl)-2-ethylsulfonylaniline
SMILESCCC1CCC(Nc2ccccc2S(=O)(=O)CC)C1
InChIInChI=1S/C15H23NO2S/c1-3-12-9-10-13(11-12)16-14-7-5-6-8-15(14)19(17,18)4-2/h5-8,12-13,16H,3-4,9-11H2,1-2H3
InChIKeyIPMQBLLVZWNORX-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylsulfonylphenyl)cycloheptanamine
CID 43453589
2-[(4-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 43749872
cis-(1S,3R)-3-N-(2-ethylsulfonylphenyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 99858148
N-(2-ethylsulfonylphenyl)oxan-4-amine
CID 43610395
N-(2-ethylsulfonylphenyl)-1-methylpyrrolidin-3-amine
CID 61465017
N-(4-chlorocyclohexyl)-2-propylsulfonylaniline
CID 65027980
N-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 43738170
2-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline
CID 107414093
N-(3-ethylcyclopentyl)-2-pyrazol-1-ylaniline
CID 64501492
2-(cyclopropylamino)-N-methylbenzenesulfonamide
CID 43454291
5-amino-2-[(3-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 103287126
N-(2-methylsulfonylphenyl)-4-propylcycloheptan-1-amine
CID 65086579

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclopentyl)-2-ethylsulfonylaniline?
The IUPAC name of N-(3-ethylcyclopentyl)-2-ethylsulfonylaniline (CID 64500030) is N-(3-ethylcyclopentyl)-2-ethylsulfonylaniline.
What is the SMILES notation for N-(3-ethylcyclopentyl)-2-ethylsulfonylaniline?
The canonical SMILES for N-(3-ethylcyclopentyl)-2-ethylsulfonylaniline is CCC1CCC(Nc2ccccc2S(=O)(=O)CC)C1.
What is the InChIKey of N-(3-ethylcyclopentyl)-2-ethylsulfonylaniline?
The InChIKey is IPMQBLLVZWNORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-12-9-10-13(11-12)16-14-7-5-6-8-15(14)19(17,18)4-2/h5-8,12-13,16H,3-4,9-11H2,1-2H3.
What are the key properties of N-(3-ethylcyclopentyl)-2-ethylsulfonylaniline?
N-(3-ethylcyclopentyl)-2-ethylsulfonylaniline has a molecular weight of 281.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylcyclopentyl)-2-ethylsulfonylaniline is sourced from PubChem (CID 64500030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).