2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide

C13H24N2O3S2 — CID 106092756

IUPAC2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)NCCCCCOC
InChIInChI=1S/C13H24N2O3S2/c1-3-14-11-12-13(7-10-19-12)20(16,17)15-8-5-4-6-9-18-2/h7,10,14-15H,3-6,8-9,11H2,1-2H3
InChIKeyLIMUHXRXGVOWGR-UHFFFAOYSA-N
MW320.48 g/mol
LogP1.95
Rot. Bonds11

About 2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide

2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide (PubChem CID 106092756) has the molecular formula C13H24N2O3S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide
PubChem CID106092756
Molecular FormulaC13H24N2O3S2
Molecular Weight320.48 g/mol
Exact Mass320.12
IUPAC Name2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)NCCCCCOC
InChIInChI=1S/C13H24N2O3S2/c1-3-14-11-12-13(7-10-19-12)20(16,17)15-8-5-4-6-9-18-2/h7,10,14-15H,3-6,8-9,11H2,1-2H3
InChIKeyLIMUHXRXGVOWGR-UHFFFAOYSA-N
XLogP1.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(ethylaminomethyl)-N-(5-methoxypentyl)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

2-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)thiophene-3-sulfonamide
CID 106092757
2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 106059176
5-(ethylaminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-2-sulfonamide
CID 106092675
2-(ethylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide
CID 106064642
5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-sulfonamide
CID 106092710
5-(ethylaminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
CID 106053936
2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106068759
5-(ethylaminomethyl)-N-(5-methoxypentyl)pyridine-2-sulfonamide
CID 106092686
methyl 2-(5-methoxypentylsulfamoyl)benzoate
CID 103833559
N-[2-(2-methylpropoxy)ethyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106085314
1-[4-(ethylaminomethyl)phenyl]-N-(4-methoxybutyl)methanesulfonamide
CID 106054025
2-(hydroxymethyl)-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide
CID 106002506

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide (CID 106092756) is 2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide is CCNCc1sccc1S(=O)(=O)NCCCCCOC.
What is the InChIKey of 2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide?
The InChIKey is LIMUHXRXGVOWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S2/c1-3-14-11-12-13(7-10-19-12)20(16,17)15-8-5-4-6-9-18-2/h7,10,14-15H,3-6,8-9,11H2,1-2H3.
What are the key properties of 2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide?
2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide has a molecular weight of 320.48 g/mol, XLogP of 1.95, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106092756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).