5-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylbenzenesulfonamide

C14H24N2O4S — CID 106051218

IUPAC5-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylbenzenesulfonamide
SMILESCOCCOCCNS(=O)(=O)c1cc(CN)c(C)cc1C
InChIInChI=1S/C14H24N2O4S/c1-11-8-12(2)14(9-13(11)10-15)21(17,18)16-4-5-20-7-6-19-3/h8-9,16H,4-7,10,15H2,1-3H3
InChIKeyMASXVSRPXSSISM-UHFFFAOYSA-N
MW316.42 g/mol
LogP0.70
Rot. Bonds9

About 5-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylbenzenesulfonamide

5-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 106051218) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylbenzenesulfonamide
PubChem CID106051218
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name5-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylbenzenesulfonamide
SMILESCOCCOCCNS(=O)(=O)c1cc(CN)c(C)cc1C
InChIInChI=1S/C14H24N2O4S/c1-11-8-12(2)14(9-13(11)10-15)21(17,18)16-4-5-20-7-6-19-3/h8-9,16H,4-7,10,15H2,1-3H3
InChIKeyMASXVSRPXSSISM-UHFFFAOYSA-N
XLogP0.70
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylbenzenesulfonamide 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

5-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 106051201
4-(aminomethyl)-2-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 106051244
4-(aminomethyl)-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
CID 106919075
4-[2-(2-methoxyethoxy)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63329093
5-(aminomethyl)-N-(1-methoxypentan-2-yl)-2,4-dimethylbenzenesulfonamide
CID 106068509
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
2-hydroxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 81241088
2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide
CID 29054263
3-(aminomethyl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzenesulfonamide
CID 106064650
5-amino-N-[2-(2-methoxyethoxy)ethyl]-2-nitrobenzenesulfonamide
CID 62156919
5-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-sulfonamide
CID 106001823
5-amino-4-bromo-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzenesulfonamide
CID 114625595

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylbenzenesulfonamide (CID 106051218) is 5-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylbenzenesulfonamide is COCCOCCNS(=O)(=O)c1cc(CN)c(C)cc1C.
What is the InChIKey of 5-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is MASXVSRPXSSISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-11-8-12(2)14(9-13(11)10-15)21(17,18)16-4-5-20-7-6-19-3/h8-9,16H,4-7,10,15H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylbenzenesulfonamide?
5-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 316.42 g/mol, XLogP of 0.70, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 106051218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).