4-methyl-3-(methylaminomethyl)-N-pentylbenzenesulfonamide

C14H24N2O2S — CID 106058312

IUPAC4-methyl-3-(methylaminomethyl)-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(C)c(CNC)c1
InChIInChI=1S/C14H24N2O2S/c1-4-5-6-9-16-19(17,18)14-8-7-12(2)13(10-14)11-15-3/h7-8,10,15-16H,4-6,9,11H2,1-3H3
InChIKeyKHACVXRNYSSCEY-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.18
Rot. Bonds8

About 4-methyl-3-(methylaminomethyl)-N-pentylbenzenesulfonamide

4-methyl-3-(methylaminomethyl)-N-pentylbenzenesulfonamide (PubChem CID 106058312) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-methyl-3-(methylaminomethyl)-N-pentylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-3-(methylaminomethyl)-N-pentylbenzenesulfonamide
PubChem CID106058312
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name4-methyl-3-(methylaminomethyl)-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(C)c(CNC)c1
InChIInChI=1S/C14H24N2O2S/c1-4-5-6-9-16-19(17,18)14-8-7-12(2)13(10-14)11-15-3/h7-8,10,15-16H,4-6,9,11H2,1-3H3
InChIKeyKHACVXRNYSSCEY-UHFFFAOYSA-N
XLogP2.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-3-(methylaminomethyl)-N-pentylbenzenesulfonamide 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

4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 106032169
4-cyano-3-methyl-N-octylbenzenesulfonamide
CID 106919852
N-(2-ethoxy-2-methylpropyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106086792
4-methyl-3-(methylaminomethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331807
5-(decylsulfamoyl)-2-methylbenzoic acid
CID 100820311
4-methyl-3-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 106015484
2-N,7-N-dioctadecyl-9-oxofluorene-2,7-disulfonamide
CID 3417830
N-nonylnaphthalene-2-sulfonamide
CID 19681387
5-(butylsulfamoyl)-N,2-dimethylbenzamide
CID 6464049
N-butyl-4-methyl-3-nitrobenzenesulfonamide
CID 2836737
3-amino-4-chloro-N-dodecylbenzenesulfonamide
CID 5086420
3-amino-4-hydroxy-N-pentylbenzenesulfonamide
CID 29051411

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(methylaminomethyl)-N-pentylbenzenesulfonamide?
The IUPAC name of 4-methyl-3-(methylaminomethyl)-N-pentylbenzenesulfonamide (CID 106058312) is 4-methyl-3-(methylaminomethyl)-N-pentylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-3-(methylaminomethyl)-N-pentylbenzenesulfonamide?
The canonical SMILES for 4-methyl-3-(methylaminomethyl)-N-pentylbenzenesulfonamide is CCCCCNS(=O)(=O)c1ccc(C)c(CNC)c1.
What is the InChIKey of 4-methyl-3-(methylaminomethyl)-N-pentylbenzenesulfonamide?
The InChIKey is KHACVXRNYSSCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-5-6-9-16-19(17,18)14-8-7-12(2)13(10-14)11-15-3/h7-8,10,15-16H,4-6,9,11H2,1-3H3.
What are the key properties of 4-methyl-3-(methylaminomethyl)-N-pentylbenzenesulfonamide?
4-methyl-3-(methylaminomethyl)-N-pentylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(methylaminomethyl)-N-pentylbenzenesulfonamide is sourced from PubChem (CID 106058312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).