5-(aminomethyl)-N-(2-ethoxypropyl)-2-ethylbenzenesulfonamide

C14H24N2O3S — CID 106078747

IUPAC5-(aminomethyl)-N-(2-ethoxypropyl)-2-ethylbenzenesulfonamide
SMILESCCOC(C)CNS(=O)(=O)c1cc(CN)ccc1CC
InChIInChI=1S/C14H24N2O3S/c1-4-13-7-6-12(9-15)8-14(13)20(17,18)16-10-11(3)19-5-2/h6-8,11,16H,4-5,9-10,15H2,1-3H3
InChIKeyRLYGGIWSHWRNRK-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.41
Rot. Bonds8

About 5-(aminomethyl)-N-(2-ethoxypropyl)-2-ethylbenzenesulfonamide

5-(aminomethyl)-N-(2-ethoxypropyl)-2-ethylbenzenesulfonamide (PubChem CID 106078747) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-ethoxypropyl)-2-ethylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-ethoxypropyl)-2-ethylbenzenesulfonamide
PubChem CID106078747
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name5-(aminomethyl)-N-(2-ethoxypropyl)-2-ethylbenzenesulfonamide
SMILESCCOC(C)CNS(=O)(=O)c1cc(CN)ccc1CC
InChIInChI=1S/C14H24N2O3S/c1-4-13-7-6-12(9-15)8-14(13)20(17,18)16-10-11(3)19-5-2/h6-8,11,16H,4-5,9-10,15H2,1-3H3
InChIKeyRLYGGIWSHWRNRK-UHFFFAOYSA-N
XLogP1.41
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-2-ethylbenzenesulfonamide
CID 106054244
3-(aminomethyl)-4-chloro-N-(2-ethoxypropyl)benzenesulfonamide
CID 106078885
N-(2-ethoxypropyl)-2-fluoro-5-(methylaminomethyl)benzenesulfonamide
CID 106078669
5-(aminomethyl)-N-(2-ethoxypropyl)-2-methylthiophene-3-sulfonamide
CID 106078844
5-(aminomethyl)-2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
CID 106080861
5-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 106051201
5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031396
5-(aminomethyl)-2-ethyl-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 106090964
6-(aminomethyl)-N-(2-ethoxypropyl)pyridine-3-sulfonamide
CID 114613742
5-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106080192
4-N-(2-ethoxypropyl)benzene-1,4-disulfonamide
CID 115650655
5-(aminomethyl)-N-(2-ethoxypropyl)thiophene-3-sulfonamide
CID 114142018

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-ethoxypropyl)-2-ethylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-ethoxypropyl)-2-ethylbenzenesulfonamide (CID 106078747) is 5-(aminomethyl)-N-(2-ethoxypropyl)-2-ethylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-ethoxypropyl)-2-ethylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-ethoxypropyl)-2-ethylbenzenesulfonamide is CCOC(C)CNS(=O)(=O)c1cc(CN)ccc1CC.
What is the InChIKey of 5-(aminomethyl)-N-(2-ethoxypropyl)-2-ethylbenzenesulfonamide?
The InChIKey is RLYGGIWSHWRNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-13-7-6-12(9-15)8-14(13)20(17,18)16-10-11(3)19-5-2/h6-8,11,16H,4-5,9-10,15H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-(2-ethoxypropyl)-2-ethylbenzenesulfonamide?
5-(aminomethyl)-N-(2-ethoxypropyl)-2-ethylbenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-ethoxypropyl)-2-ethylbenzenesulfonamide is sourced from PubChem (CID 106078747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).