N-(2-ethoxyethyl)-N-methyl-1-[3-(methylaminomethyl)phenyl]methanesulfonamide

C14H24N2O3S — CID 81067735

IUPACN-(2-ethoxyethyl)-N-methyl-1-[3-(methylaminomethyl)phenyl]methanesulfonamide
SMILESCCOCCN(C)S(=O)(=O)Cc1cccc(CNC)c1
InChIInChI=1S/C14H24N2O3S/c1-4-19-9-8-16(3)20(17,18)12-14-7-5-6-13(10-14)11-15-2/h5-7,10,15H,4,8-9,11-12H2,1-3H3
InChIKeyOULCUIPPPCJYOO-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.20
Rot. Bonds9

About N-(2-ethoxyethyl)-N-methyl-1-[3-(methylaminomethyl)phenyl]methanesulfonamide

N-(2-ethoxyethyl)-N-methyl-1-[3-(methylaminomethyl)phenyl]methanesulfonamide (PubChem CID 81067735) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-methyl-1-[3-(methylaminomethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-methyl-1-[3-(methylaminomethyl)phenyl]methanesulfonamide
PubChem CID81067735
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-(2-ethoxyethyl)-N-methyl-1-[3-(methylaminomethyl)phenyl]methanesulfonamide
SMILESCCOCCN(C)S(=O)(=O)Cc1cccc(CNC)c1
InChIInChI=1S/C14H24N2O3S/c1-4-19-9-8-16(3)20(17,18)12-14-7-5-6-13(10-14)11-15-2/h5-7,10,15H,4,8-9,11-12H2,1-3H3
InChIKeyOULCUIPPPCJYOO-UHFFFAOYSA-N
XLogP1.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-ethoxyethyl)-N-methyl-1-[3-(methylaminomethyl)phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethoxyethyl)-N-methyl-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 81067624
N-(2-ethoxyethyl)-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 81068198
N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)benzenesulfonamide
CID 81064011
N-[2-(dimethylamino)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide
CID 106032445
1-[3-(methylaminomethyl)phenyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]methanesulfonamide
CID 106055642
1-[3-(aminomethyl)phenyl]-N-methyl-N-propylmethanesulfonamide
CID 54885724
2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 81068359
N-[[3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 81067727
5-chloro-N-(2-ethoxyethyl)-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
CID 82878475
1-[3-(methylaminomethyl)phenyl]-N-(3-methylpentan-2-yl)methanesulfonamide
CID 106053780
N-[[3-(aminomethyl)phenyl]methyl]-2-ethoxy-N-methylethanesulfonamide
CID 55175265
N-(2-ethoxyethyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 106020217

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-methyl-1-[3-(methylaminomethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-N-methyl-1-[3-(methylaminomethyl)phenyl]methanesulfonamide (CID 81067735) is N-(2-ethoxyethyl)-N-methyl-1-[3-(methylaminomethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-methyl-1-[3-(methylaminomethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-methyl-1-[3-(methylaminomethyl)phenyl]methanesulfonamide is CCOCCN(C)S(=O)(=O)Cc1cccc(CNC)c1.
What is the InChIKey of N-(2-ethoxyethyl)-N-methyl-1-[3-(methylaminomethyl)phenyl]methanesulfonamide?
The InChIKey is OULCUIPPPCJYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-19-9-8-16(3)20(17,18)12-14-7-5-6-13(10-14)11-15-2/h5-7,10,15H,4,8-9,11-12H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-N-methyl-1-[3-(methylaminomethyl)phenyl]methanesulfonamide?
N-(2-ethoxyethyl)-N-methyl-1-[3-(methylaminomethyl)phenyl]methanesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-methyl-1-[3-(methylaminomethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 81067735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).