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

C15H26N2O2S — CID 79470283

IUPACN-ethyl-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1ccccc1CNC
InChIInChI=1S/C15H26N2O2S/c1-5-13(3)12-17(6-2)20(18,19)15-10-8-7-9-14(15)11-16-4/h7-10,13,16H,5-6,11-12H2,1-4H3
InChIKeyRFFPRCXYHADAQD-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.46
Rot. Bonds8

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

N-ethyl-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide (PubChem CID 79470283) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-ethyl-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
PubChem CID79470283
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-ethyl-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1ccccc1CNC
InChIInChI=1S/C15H26N2O2S/c1-5-13(3)12-17(6-2)20(18,19)15-10-8-7-9-14(15)11-16-4/h7-10,13,16H,5-6,11-12H2,1-4H3
InChIKeyRFFPRCXYHADAQD-UHFFFAOYSA-N
XLogP2.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79482199
2-bromo-N-ethyl-4-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 79472642
N-ethyl-4-methyl-5-(methylaminomethyl)-N-(2-methylbutyl)thiophene-2-sulfonamide
CID 79470903
N-(3-ethylpentan-2-yl)-2-(methylaminomethyl)benzenesulfonamide
CID 106063357
N-ethyl-4-(ethylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 79479965
4-[ethyl(2-methylbutyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791690
N-(3-amino-2-methylpropyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 54987311
N-methyl-2-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81067996
2-(aminomethyl)-N,N-diethylbenzenesulfonamide
CID 16783834
1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide
CID 3900555
N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)furan-2-sulfonamide
CID 79470714
3-amino-N-ethyl-2,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79889083

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide?
The IUPAC name of N-ethyl-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide (CID 79470283) is N-ethyl-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide is CCC(C)CN(CC)S(=O)(=O)c1ccccc1CNC.
What is the InChIKey of N-ethyl-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide?
The InChIKey is RFFPRCXYHADAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-5-13(3)12-17(6-2)20(18,19)15-10-8-7-9-14(15)11-16-4/h7-10,13,16H,5-6,11-12H2,1-4H3.
What are the key properties of N-ethyl-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide?
N-ethyl-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 79470283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).