2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)benzenesulfonamide

C14H24N2O2S — CID 79482199

IUPAC2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1ccccc1CN
InChIInChI=1S/C14H24N2O2S/c1-4-12(3)11-16(5-2)19(17,18)14-9-7-6-8-13(14)10-15/h6-9,12H,4-5,10-11,15H2,1-3H3
InChIKeyIVEQEIJMGXZBTN-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.20
Rot. Bonds7

About 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)benzenesulfonamide

2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)benzenesulfonamide (PubChem CID 79482199) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
PubChem CID79482199
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1ccccc1CN
InChIInChI=1S/C14H24N2O2S/c1-4-12(3)11-16(5-2)19(17,18)14-9-7-6-8-13(14)10-15/h6-9,12H,4-5,10-11,15H2,1-3H3
InChIKeyIVEQEIJMGXZBTN-UHFFFAOYSA-N
XLogP2.20
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N,N-diethylbenzenesulfonamide
CID 16783834
N-ethyl-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 79470283
5-(aminomethyl)-N-ethyl-2,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79471703
5-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79471583
N-(3-amino-2-methylpropyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 54987311
2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)thiophene-3-sulfonamide
CID 79469775
2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103188525
3-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79472645
4-[ethyl(2-methylbutyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791690
2-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 54947074
1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide
CID 3900555
3-amino-N-ethyl-2,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79889083

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)benzenesulfonamide (CID 79482199) is 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)benzenesulfonamide is CCC(C)CN(CC)S(=O)(=O)c1ccccc1CN.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)benzenesulfonamide?
The InChIKey is IVEQEIJMGXZBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-12(3)11-16(5-2)19(17,18)14-9-7-6-8-13(14)10-15/h6-9,12H,4-5,10-11,15H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)benzenesulfonamide?
2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)benzenesulfonamide has a molecular weight of 284.42 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 79482199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).