2-(aminomethyl)-N-(4-methoxy-2-methylphenyl)thiophene-3-sulfonamide

C13H16N2O3S2 — CID 106056025

IUPAC2-(aminomethyl)-N-(4-methoxy-2-methylphenyl)thiophene-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccsc2CN)c(C)c1
InChIInChI=1S/C13H16N2O3S2/c1-9-7-10(18-2)3-4-11(9)15-20(16,17)13-5-6-19-12(13)8-14/h3-7,15H,8,14H2,1-2H3
InChIKeyFABJRQRPUVMVSL-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.32
Rot. Bonds5

About 2-(aminomethyl)-N-(4-methoxy-2-methylphenyl)thiophene-3-sulfonamide

2-(aminomethyl)-N-(4-methoxy-2-methylphenyl)thiophene-3-sulfonamide (PubChem CID 106056025) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-methoxy-2-methylphenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-methoxy-2-methylphenyl)thiophene-3-sulfonamide
PubChem CID106056025
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC Name2-(aminomethyl)-N-(4-methoxy-2-methylphenyl)thiophene-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccsc2CN)c(C)c1
InChIInChI=1S/C13H16N2O3S2/c1-9-7-10(18-2)3-4-11(9)15-20(16,17)13-5-6-19-12(13)8-14/h3-7,15H,8,14H2,1-2H3
InChIKeyFABJRQRPUVMVSL-UHFFFAOYSA-N
XLogP2.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(aminomethyl)-N-(4-methoxy-2-methylphenyl)thiophene-3-sulfonamide 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-(4-methoxy-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106056030
N-(4-methoxy-2-methylphenyl)-2-methylbenzenesulfonamide
CID 62997670
N-(4-methoxy-2-methylphenyl)methanesulfonamide
CID 15851883
N-(4-bromo-2-methylphenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 107425265
N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 22202548
4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22202576
N-(4-methoxy-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62871193
N-(4-bromo-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106057534
2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)thiophene-3-sulfonamide
CID 106030355
N-[4-(diethylamino)-2-methylphenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113098997
2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-3-sulfonamide
CID 106082978
2-bromo-4-fluoro-N-(4-methoxy-2-methylphenyl)benzenesulfonamide
CID 62871190

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-methoxy-2-methylphenyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(4-methoxy-2-methylphenyl)thiophene-3-sulfonamide (CID 106056025) is 2-(aminomethyl)-N-(4-methoxy-2-methylphenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-methoxy-2-methylphenyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-methoxy-2-methylphenyl)thiophene-3-sulfonamide is COc1ccc(NS(=O)(=O)c2ccsc2CN)c(C)c1.
What is the InChIKey of 2-(aminomethyl)-N-(4-methoxy-2-methylphenyl)thiophene-3-sulfonamide?
The InChIKey is FABJRQRPUVMVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-9-7-10(18-2)3-4-11(9)15-20(16,17)13-5-6-19-12(13)8-14/h3-7,15H,8,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(4-methoxy-2-methylphenyl)thiophene-3-sulfonamide?
2-(aminomethyl)-N-(4-methoxy-2-methylphenyl)thiophene-3-sulfonamide has a molecular weight of 312.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-methoxy-2-methylphenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106056025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).