5-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide

C13H18N2O2S3 — CID 106053416

IUPAC5-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(CNC)s1)c1cccs1
InChIInChI=1S/C13H18N2O2S3/c1-3-11(12-5-4-8-18-12)15-20(16,17)13-7-6-10(19-13)9-14-2/h4-8,11,14-15H,3,9H2,1-2H3
InChIKeyCJVVSKPBUTZYNA-UHFFFAOYSA-N
MW330.50 g/mol
LogP2.96
Rot. Bonds7

About 5-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide

5-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide (PubChem CID 106053416) has the molecular formula C13H18N2O2S3 and a molecular weight of 330.50 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
PubChem CID106053416
Molecular FormulaC13H18N2O2S3
Molecular Weight330.50 g/mol
Exact Mass330.05
IUPAC Name5-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(CNC)s1)c1cccs1
InChIInChI=1S/C13H18N2O2S3/c1-3-11(12-5-4-8-18-12)15-20(16,17)13-7-6-10(19-13)9-14-2/h4-8,11,14-15H,3,9H2,1-2H3
InChIKeyCJVVSKPBUTZYNA-UHFFFAOYSA-N
XLogP2.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)thiophene-2-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

5-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 106083800
N-(1-thiophen-2-ylpropyl)ethanesulfonamide
CID 47372817
5-(1-thiophen-2-ylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 61068619
4-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-5-sulfonamide
CID 106053436
2-[1-(sulfamoylamino)propyl]thiophene
CID 112686147
3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
CID 61068284
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
CID 50839083
5-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide
CID 124595092
2-[1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]thiophene
CID 106053430
5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide
CID 102915697
2-[(2R)-oxolan-2-yl]-N-[(1R)-1-thiophen-2-ylpropyl]ethanesulfonamide
CID 97096482
N-(1-thiophen-2-ylpropyl)pyrrolidine-1-sulfonamide
CID 131924146

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide (CID 106053416) is 5-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide is CCC(NS(=O)(=O)c1ccc(CNC)s1)c1cccs1.
What is the InChIKey of 5-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide?
The InChIKey is CJVVSKPBUTZYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S3/c1-3-11(12-5-4-8-18-12)15-20(16,17)13-7-6-10(19-13)9-14-2/h4-8,11,14-15H,3,9H2,1-2H3.
What are the key properties of 5-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide?
5-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide has a molecular weight of 330.50 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106053416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).