5-amino-N-(2,3-dimethylcyclopentyl)-2-ethoxybenzenesulfonamide

C15H24N2O3S — CID 64921051

IUPAC5-amino-N-(2,3-dimethylcyclopentyl)-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)NC1CCC(C)C1C
InChIInChI=1S/C15H24N2O3S/c1-4-20-14-8-6-12(16)9-15(14)21(18,19)17-13-7-5-10(2)11(13)3/h6,8-11,13,17H,4-5,7,16H2,1-3H3
InChIKeyOAHGPILAGPJKCE-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.38
Rot. Bonds5

About 5-amino-N-(2,3-dimethylcyclopentyl)-2-ethoxybenzenesulfonamide

5-amino-N-(2,3-dimethylcyclopentyl)-2-ethoxybenzenesulfonamide (PubChem CID 64921051) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-amino-N-(2,3-dimethylcyclopentyl)-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2,3-dimethylcyclopentyl)-2-ethoxybenzenesulfonamide
PubChem CID64921051
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name5-amino-N-(2,3-dimethylcyclopentyl)-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)NC1CCC(C)C1C
InChIInChI=1S/C15H24N2O3S/c1-4-20-14-8-6-12(16)9-15(14)21(18,19)17-13-7-5-10(2)11(13)3/h6,8-11,13,17H,4-5,7,16H2,1-3H3
InChIKeyOAHGPILAGPJKCE-UHFFFAOYSA-N
XLogP2.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64909057
5-amino-N-(2,3-dimethylcyclopentyl)-2-nitrobenzenesulfonamide
CID 64923648
5-amino-N-(1-cyclopropylethyl)-2-ethoxybenzenesulfonamide
CID 43662995
5-chloro-2-ethoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 40793418
N-(2-aminocyclopropyl)-5-bromo-2-ethoxybenzenesulfonamide
CID 43596964
5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 43662895
5-amino-N-butyl-2-ethoxybenzenesulfonamide
CID 43662916
5-amino-2-ethoxy-N-hexan-3-ylbenzenesulfonamide
CID 62118600
4-amino-2,6-dichloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64909269
5-amino-2-ethoxy-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 63836966
5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide
CID 113303848
4-amino-N-(2,3-dimethylcyclopentyl)pyridine-3-sulfonamide
CID 64923066

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,3-dimethylcyclopentyl)-2-ethoxybenzenesulfonamide?
The IUPAC name of 5-amino-N-(2,3-dimethylcyclopentyl)-2-ethoxybenzenesulfonamide (CID 64921051) is 5-amino-N-(2,3-dimethylcyclopentyl)-2-ethoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2,3-dimethylcyclopentyl)-2-ethoxybenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2,3-dimethylcyclopentyl)-2-ethoxybenzenesulfonamide is CCOc1ccc(N)cc1S(=O)(=O)NC1CCC(C)C1C.
What is the InChIKey of 5-amino-N-(2,3-dimethylcyclopentyl)-2-ethoxybenzenesulfonamide?
The InChIKey is OAHGPILAGPJKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-20-14-8-6-12(16)9-15(14)21(18,19)17-13-7-5-10(2)11(13)3/h6,8-11,13,17H,4-5,7,16H2,1-3H3.
What are the key properties of 5-amino-N-(2,3-dimethylcyclopentyl)-2-ethoxybenzenesulfonamide?
5-amino-N-(2,3-dimethylcyclopentyl)-2-ethoxybenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,3-dimethylcyclopentyl)-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 64921051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).