4-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide

C15H20N2O2S2 — CID 80522231

IUPAC4-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(CN)cc1)c1cccs1
InChIInChI=1S/C15H20N2O2S2/c1-15(2,14-4-3-9-20-14)11-17-21(18,19)13-7-5-12(10-16)6-8-13/h3-9,17H,10-11,16H2,1-2H3
InChIKeyASAZJWJXBKHTPR-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.46
Rot. Bonds6

About 4-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide

4-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide (PubChem CID 80522231) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
PubChem CID80522231
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name4-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(CN)cc1)c1cccs1
InChIInChI=1S/C15H20N2O2S2/c1-15(2,14-4-3-9-20-14)11-17-21(18,19)13-7-5-12(10-16)6-8-13/h3-9,17H,10-11,16H2,1-2H3
InChIKeyASAZJWJXBKHTPR-UHFFFAOYSA-N
XLogP2.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide 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-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 110731451
2-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)thiophene-3-sulfonamide
CID 106072628
6-hydrazinyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide
CID 80522758
2-amino-6-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 80526302
2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 79477673
1-(3-aminophenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)methanesulfonamide
CID 80526318
2-amino-4-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 80526301
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 18801910
3-(aminomethyl)-N-(2,2-dimethylbutyl)benzenesulfonamide
CID 103461066
N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 95983491
2-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide
CID 80524392
4-bromo-2-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 80524040

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide (CID 80522231) is 4-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide is CC(C)(CNS(=O)(=O)c1ccc(CN)cc1)c1cccs1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide?
The InChIKey is ASAZJWJXBKHTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-15(2,14-4-3-9-20-14)11-17-21(18,19)13-7-5-12(10-16)6-8-13/h3-9,17H,10-11,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide?
4-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide has a molecular weight of 324.47 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 80522231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).