5-(aminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide

C11H20N2O3S2 — CID 106054086

IUPAC5-(aminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
SMILESCOCCCCNS(=O)(=O)c1cc(C)c(CN)s1
InChIInChI=1S/C11H20N2O3S2/c1-9-7-11(17-10(9)8-12)18(14,15)13-5-3-4-6-16-2/h7,13H,3-6,8,12H2,1-2H3
InChIKeyXCVMBAOFMHDVPC-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.22
Rot. Bonds8

About 5-(aminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide

5-(aminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide (PubChem CID 106054086) has the molecular formula C11H20N2O3S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
PubChem CID106054086
Molecular FormulaC11H20N2O3S2
Molecular Weight292.43 g/mol
Exact Mass292.09
IUPAC Name5-(aminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
SMILESCOCCCCNS(=O)(=O)c1cc(C)c(CN)s1
InChIInChI=1S/C11H20N2O3S2/c1-9-7-11(17-10(9)8-12)18(14,15)13-5-3-4-6-16-2/h7,13H,3-6,8,12H2,1-2H3
InChIKeyXCVMBAOFMHDVPC-UHFFFAOYSA-N
XLogP1.22
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(aminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-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-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-sulfonamide
CID 106001823
5-(aminomethyl)-N-hexyl-4-methylthiophene-2-sulfonamide
CID 114135259
5-(ethylaminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
CID 106053936
5-(ethylaminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-2-sulfonamide
CID 106092675
5-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
CID 106054144
5-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 114132396
2-(aminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-3-sulfonamide
CID 106092711
5-(aminomethyl)-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 114141055
5-chloro-N-(4-methoxybutyl)-4-nitrothiophene-2-sulfonamide
CID 80741978
5-(aminomethyl)-4-methyl-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide
CID 106094400
5-(aminomethyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
CID 106054619
5-(aminomethyl)-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-2-sulfonamide
CID 106067326

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide (CID 106054086) is 5-(aminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide is COCCCCNS(=O)(=O)c1cc(C)c(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is XCVMBAOFMHDVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S2/c1-9-7-11(17-10(9)8-12)18(14,15)13-5-3-4-6-16-2/h7,13H,3-6,8,12H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide?
5-(aminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 292.43 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 106054086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).