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

C13H24N2O3S2 — CID 106053936

IUPAC5-(ethylaminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
SMILESCCNCc1sc(S(=O)(=O)NCCCCOC)cc1C
InChIInChI=1S/C13H24N2O3S2/c1-4-14-10-12-11(2)9-13(19-12)20(16,17)15-7-5-6-8-18-3/h9,14-15H,4-8,10H2,1-3H3
InChIKeyOUBKPBNLJLTINZ-UHFFFAOYSA-N
MW320.48 g/mol
LogP1.87
Rot. Bonds10

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

5-(ethylaminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide (PubChem CID 106053936) has the molecular formula C13H24N2O3S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
PubChem CID106053936
Molecular FormulaC13H24N2O3S2
Molecular Weight320.48 g/mol
Exact Mass320.12
IUPAC Name5-(ethylaminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
SMILESCCNCc1sc(S(=O)(=O)NCCCCOC)cc1C
InChIInChI=1S/C13H24N2O3S2/c1-4-14-10-12-11(2)9-13(19-12)20(16,17)15-7-5-6-8-18-3/h9,14-15H,4-8,10H2,1-3H3
InChIKeyOUBKPBNLJLTINZ-UHFFFAOYSA-N
XLogP1.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(ethylaminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-2-sulfonamide
CID 106092675
5-(aminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
CID 106054086
5-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
CID 106054144
5-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-2-sulfonamide
CID 106093639
5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-sulfonamide
CID 106067439
5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-sulfonamide
CID 106092710
2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide
CID 106092756
5-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-sulfonamide
CID 106001823
N-[2-(dimethylamino)propyl]-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide
CID 106017150
5-(ethylaminomethyl)-4-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 106030879
5-(ethylaminomethyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide
CID 106296004
5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
CID 106031981

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide (CID 106053936) is 5-(ethylaminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide is CCNCc1sc(S(=O)(=O)NCCCCOC)cc1C.
What is the InChIKey of 5-(ethylaminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is OUBKPBNLJLTINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S2/c1-4-14-10-12-11(2)9-13(19-12)20(16,17)15-7-5-6-8-18-3/h9,14-15H,4-8,10H2,1-3H3.
What are the key properties of 5-(ethylaminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide?
5-(ethylaminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 320.48 g/mol, XLogP of 1.87, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 106053936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).