5-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide

C11H20N2O3S2 — CID 81056979

IUPAC5-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1ccc(CCN)s1
InChIInChI=1S/C11H20N2O3S2/c1-3-16-9-8-13(2)18(14,15)11-5-4-10(17-11)6-7-12/h4-5H,3,6-9,12H2,1-2H3
InChIKeyQCWOKQGSXNEBGY-UHFFFAOYSA-N
MW292.43 g/mol
LogP0.91
Rot. Bonds8

About 5-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide

5-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide (PubChem CID 81056979) has the molecular formula C11H20N2O3S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide
PubChem CID81056979
Molecular FormulaC11H20N2O3S2
Molecular Weight292.43 g/mol
Exact Mass292.09
IUPAC Name5-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1ccc(CCN)s1
InChIInChI=1S/C11H20N2O3S2/c1-3-16-9-8-13(2)18(14,15)11-5-4-10(17-11)6-7-12/h4-5H,3,6-9,12H2,1-2H3
InChIKeyQCWOKQGSXNEBGY-UHFFFAOYSA-N
XLogP0.91
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2-aminoethyl)-N-(2-ethoxyethyl)-N-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-(2-aminoethyl)-N-butyl-N-methylthiophene-2-sulfonamide
CID 43520862
5-(2-aminoethyl)-N-methyl-N-(3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 114237748
5-(2-aminoethyl)-N-(3-hydroxybutyl)-N-methylthiophene-2-sulfonamide
CID 113499673
5-(2-aminoethyl)-N,N-dibutylthiophene-2-sulfonamide
CID 43520957
5-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 61439859
5-(2-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 54879826
5-(2-aminoethyl)-N-butyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 61447206
4-amino-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide
CID 81053665
5-(2-aminoethyl)-N-cyclopentyl-N-methylthiophene-2-sulfonamide
CID 43520978
5-(aminomethyl)-N-(2-ethoxyethyl)-N,2-dimethylthiophene-3-sulfonamide
CID 81067392
5-(2-aminoethyl)-N-(3,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide
CID 62004378
5-(2-aminoethyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide
CID 61436431

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide (CID 81056979) is 5-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide is CCOCCN(C)S(=O)(=O)c1ccc(CCN)s1.
What is the InChIKey of 5-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide?
The InChIKey is QCWOKQGSXNEBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S2/c1-3-16-9-8-13(2)18(14,15)11-5-4-10(17-11)6-7-12/h4-5H,3,6-9,12H2,1-2H3.
What are the key properties of 5-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide?
5-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide has a molecular weight of 292.43 g/mol, XLogP of 0.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 81056979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).