N-[(2-aminophenyl)methyl]-N-ethylcyclopentanesulfonamide

C14H22N2O2S — CID 105360552

IUPACN-[(2-aminophenyl)methyl]-N-ethylcyclopentanesulfonamide
SMILESCCN(Cc1ccccc1N)S(=O)(=O)C1CCCC1
InChIInChI=1S/C14H22N2O2S/c1-2-16(11-12-7-3-6-10-14(12)15)19(17,18)13-8-4-5-9-13/h3,6-7,10,13H,2,4-5,8-9,11,15H2,1H3
InChIKeyLWYHBEPRKWCVMP-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.36
Rot. Bonds5

About N-[(2-aminophenyl)methyl]-N-ethylcyclopentanesulfonamide

N-[(2-aminophenyl)methyl]-N-ethylcyclopentanesulfonamide (PubChem CID 105360552) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-ethylcyclopentanesulfonamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-ethylcyclopentanesulfonamide
PubChem CID105360552
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[(2-aminophenyl)methyl]-N-ethylcyclopentanesulfonamide
SMILESCCN(Cc1ccccc1N)S(=O)(=O)C1CCCC1
InChIInChI=1S/C14H22N2O2S/c1-2-16(11-12-7-3-6-10-14(12)15)19(17,18)13-8-4-5-9-13/h3,6-7,10,13H,2,4-5,8-9,11,15H2,1H3
InChIKeyLWYHBEPRKWCVMP-UHFFFAOYSA-N
XLogP2.36
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-aminophenyl)methyl]-N-propan-2-ylcyclopentanesulfonamide
CID 105360558
2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 43266778
N,N-dibenzylcyclohexanesulfonamide
CID 162418871
N-[(2-aminophenyl)methyl]-N-ethyl-3-methoxypropane-1-sulfonamide
CID 63290024
N-[(2-aminophenyl)methyl]-N-ethylpyridine-3-sulfonamide
CID 43459312
2-[[ethyl-(2-ethylcyclohexyl)amino]methyl]aniline
CID 63863049
N-[(2-aminophenyl)methyl]-N-ethyl-1H-pyrazole-4-sulfonamide
CID 54936964
2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 61343922
N-[(2-aminophenyl)methyl]-N-propylcyclopentanecarboxamide
CID 43459851
1-[(2-aminophenyl)methyl]-3-cyclobutyl-1-ethylurea
CID 116653604
2-ethylaniline;sulfuric acid
CID 67820112
N-[(2-aminophenyl)methyl]-N-propan-2-ylethanesulfonamide
CID 43460402

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-ethylcyclopentanesulfonamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-ethylcyclopentanesulfonamide (CID 105360552) is N-[(2-aminophenyl)methyl]-N-ethylcyclopentanesulfonamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-ethylcyclopentanesulfonamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-ethylcyclopentanesulfonamide is CCN(Cc1ccccc1N)S(=O)(=O)C1CCCC1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-ethylcyclopentanesulfonamide?
The InChIKey is LWYHBEPRKWCVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-16(11-12-7-3-6-10-14(12)15)19(17,18)13-8-4-5-9-13/h3,6-7,10,13H,2,4-5,8-9,11,15H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-ethylcyclopentanesulfonamide?
N-[(2-aminophenyl)methyl]-N-ethylcyclopentanesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-ethylcyclopentanesulfonamide is sourced from PubChem (CID 105360552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).