5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)-2-methylthiophene-3-sulfonamide

C13H24N2O2S3 — CID 106092360

IUPAC5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)-2-methylthiophene-3-sulfonamide
SMILESCCC(CC)(CNS(=O)(=O)c1cc(CN)sc1C)SC
InChIInChI=1S/C13H24N2O2S3/c1-5-13(6-2,18-4)9-15-20(16,17)12-7-11(8-14)19-10(12)3/h7,15H,5-6,8-9,14H2,1-4H3
InChIKeyHUESKNYQPJRJMW-UHFFFAOYSA-N
MW336.55 g/mol
LogP2.72
Rot. Bonds8

About 5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)-2-methylthiophene-3-sulfonamide

5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)-2-methylthiophene-3-sulfonamide (PubChem CID 106092360) has the molecular formula C13H24N2O2S3 and a molecular weight of 336.55 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)-2-methylthiophene-3-sulfonamide
PubChem CID106092360
Molecular FormulaC13H24N2O2S3
Molecular Weight336.55 g/mol
Exact Mass336.10
IUPAC Name5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)-2-methylthiophene-3-sulfonamide
SMILESCCC(CC)(CNS(=O)(=O)c1cc(CN)sc1C)SC
InChIInChI=1S/C13H24N2O2S3/c1-5-13(6-2,18-4)9-15-20(16,17)12-7-11(8-14)19-10(12)3/h7,15H,5-6,8-9,14H2,1-4H3
InChIKeyHUESKNYQPJRJMW-UHFFFAOYSA-N
XLogP2.72
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)-2-methylthiophene-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

5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-2-methylthiophene-3-sulfonamide
CID 114142094
5-(aminomethyl)-N-(2-ethoxypropyl)-2-methylthiophene-3-sulfonamide
CID 106078844
5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)pyridine-3-sulfonamide
CID 103698220
3-(aminomethyl)-4-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzenesulfonamide
CID 106092373
5-(ethylaminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 106092326
5-(aminomethyl)-2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106073578
5-(aminomethyl)-2-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide
CID 106085403
5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide
CID 106076875
5-(aminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106088377
5-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-2-methylthiophene-3-sulfonamide
CID 106078465
5-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-2-methylthiophene-3-sulfonamide
CID 106084683
5-(aminomethyl)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]thiophene-3-sulfonamide
CID 106062661

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)-2-methylthiophene-3-sulfonamide (CID 106092360) is 5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)-2-methylthiophene-3-sulfonamide is CCC(CC)(CNS(=O)(=O)c1cc(CN)sc1C)SC.
What is the InChIKey of 5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)-2-methylthiophene-3-sulfonamide?
The InChIKey is HUESKNYQPJRJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S3/c1-5-13(6-2,18-4)9-15-20(16,17)12-7-11(8-14)19-10(12)3/h7,15H,5-6,8-9,14H2,1-4H3.
What are the key properties of 5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)-2-methylthiophene-3-sulfonamide?
5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)-2-methylthiophene-3-sulfonamide has a molecular weight of 336.55 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106092360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).