2-(2-aminopentan-3-yl)-N-ethylbenzenesulfonamide

C13H22N2O2S — CID 63200269

IUPAC2-(2-aminopentan-3-yl)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1C(CC)C(C)N
InChIInChI=1S/C13H22N2O2S/c1-4-11(10(3)14)12-8-6-7-9-13(12)18(16,17)15-5-2/h6-11,15H,4-5,14H2,1-3H3
InChIKeyJEVAVNLQJRNTLO-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.83
Rot. Bonds6

About 2-(2-aminopentan-3-yl)-N-ethylbenzenesulfonamide

2-(2-aminopentan-3-yl)-N-ethylbenzenesulfonamide (PubChem CID 63200269) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-(2-aminopentan-3-yl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2-aminopentan-3-yl)-N-ethylbenzenesulfonamide
PubChem CID63200269
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-(2-aminopentan-3-yl)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1C(CC)C(C)N
InChIInChI=1S/C13H22N2O2S/c1-4-11(10(3)14)12-8-6-7-9-13(12)18(16,17)15-5-2/h6-11,15H,4-5,14H2,1-3H3
InChIKeyJEVAVNLQJRNTLO-UHFFFAOYSA-N
XLogP1.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopentan-2-yl)-N-propylbenzenesulfonamide
CID 63548795
N-ethyl-2-[3-(propylamino)pentan-2-yl]benzenesulfonamide
CID 63561312
2-(2-bromopentan-3-yl)benzenesulfonamide
CID 63203612
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
N-ethyl-2-iodobenzenesulfonamide
CID 626580
2-[(1R)-1-aminopropyl]-N-tert-butylbenzenesulfonamide
CID 58275405
3-(2-methylsulfonylphenyl)pentan-2-ol
CID 63201177
N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500232
2-(ethylsulfamoyl)benzoic acid
CID 18725198
N-ethyl-9,10-dioxoanthracene-1-sulfonamide
CID 3256725
2-[2-(ethylsulfamoyl)anilino]propanoic acid
CID 43468803
N-ethyl-2-(4-methylpentylamino)benzenesulfonamide
CID 54913733

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopentan-3-yl)-N-ethylbenzenesulfonamide?
The IUPAC name of 2-(2-aminopentan-3-yl)-N-ethylbenzenesulfonamide (CID 63200269) is 2-(2-aminopentan-3-yl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2-(2-aminopentan-3-yl)-N-ethylbenzenesulfonamide?
The canonical SMILES for 2-(2-aminopentan-3-yl)-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccccc1C(CC)C(C)N.
What is the InChIKey of 2-(2-aminopentan-3-yl)-N-ethylbenzenesulfonamide?
The InChIKey is JEVAVNLQJRNTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-11(10(3)14)12-8-6-7-9-13(12)18(16,17)15-5-2/h6-11,15H,4-5,14H2,1-3H3.
What are the key properties of 2-(2-aminopentan-3-yl)-N-ethylbenzenesulfonamide?
2-(2-aminopentan-3-yl)-N-ethylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopentan-3-yl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 63200269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).