N-(2-ethoxyethyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide

C13H22N2O3S — CID 106020217

IUPACN-(2-ethoxyethyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
SMILESCCOCCNS(=O)(=O)Cc1ccc(CNC)cc1
InChIInChI=1S/C13H22N2O3S/c1-3-18-9-8-15-19(16,17)11-13-6-4-12(5-7-13)10-14-2/h4-7,14-15H,3,8-11H2,1-2H3
InChIKeyCUAMQZQQMABBRT-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.86
Rot. Bonds9

About N-(2-ethoxyethyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide

N-(2-ethoxyethyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide (PubChem CID 106020217) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
PubChem CID106020217
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-(2-ethoxyethyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
SMILESCCOCCNS(=O)(=O)Cc1ccc(CNC)cc1
InChIInChI=1S/C13H22N2O3S/c1-3-18-9-8-15-19(16,17)11-13-6-4-12(5-7-13)10-14-2/h4-7,14-15H,3,8-11H2,1-2H3
InChIKeyCUAMQZQQMABBRT-UHFFFAOYSA-N
XLogP0.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-N-methyl-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 81067624
N-[2-[ethyl(methyl)amino]ethyl]-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 106055972
2-bromo-N-(2-ethoxyethyl)-5-(methylaminomethyl)benzenesulfonamide
CID 106019809
1-[4-(methylaminomethyl)phenyl]-N-(4-methylsulfanylbutyl)methanesulfonamide
CID 106078230
N-(benzylsulfamoyl)-2-ethoxyethanamine
CID 154495272
1-[4-(ethylaminomethyl)phenyl]-N-(2-propan-2-yloxyethyl)methanesulfonamide
CID 106077524
1-phenyl-N-(2-phenylmethoxyethyl)methanesulfonamide
CID 3764868
1-[4-(ethylaminomethyl)phenyl]-N-(4-methoxybutyl)methanesulfonamide
CID 106054025
N-[[4-(aminomethyl)phenyl]methyl]-2-ethoxyethanesulfonamide
CID 63245940
1-[4-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide
CID 106410779
N-[2-(2-aminoethoxy)ethyl]-1-phenylmethanesulfonamide
CID 63765237
1-(3-aminophenyl)-N-(3-ethoxypropyl)methanesulfonamide
CID 43256176

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide (CID 106020217) is N-(2-ethoxyethyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide is CCOCCNS(=O)(=O)Cc1ccc(CNC)cc1.
What is the InChIKey of N-(2-ethoxyethyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide?
The InChIKey is CUAMQZQQMABBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-3-18-9-8-15-19(16,17)11-13-6-4-12(5-7-13)10-14-2/h4-7,14-15H,3,8-11H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide?
N-(2-ethoxyethyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 106020217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).