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

C13H24N2O3S2 — CID 106092710

IUPAC5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCCCCCOC)s1
InChIInChI=1S/C13H24N2O3S2/c1-3-14-11-12-7-8-13(19-12)20(16,17)15-9-5-4-6-10-18-2/h7-8,14-15H,3-6,9-11H2,1-2H3
InChIKeyJMBFJTPPINVNMW-UHFFFAOYSA-N
MW320.48 g/mol
LogP1.95
Rot. Bonds11

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

5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-sulfonamide (PubChem CID 106092710) has the molecular formula C13H24N2O3S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-sulfonamide
PubChem CID106092710
Molecular FormulaC13H24N2O3S2
Molecular Weight320.48 g/mol
Exact Mass320.12
IUPAC Name5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCCCCCOC)s1
InChIInChI=1S/C13H24N2O3S2/c1-3-14-11-12-7-8-13(19-12)20(16,17)15-9-5-4-6-10-18-2/h7-8,14-15H,3-6,9-11H2,1-2H3
InChIKeyJMBFJTPPINVNMW-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'}

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Related Compounds

5-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 106078061
5-(ethylaminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-2-sulfonamide
CID 106092675
5-(ethylaminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
CID 106053936
5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 106055612
2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide
CID 106092756
N-[[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 30180963
N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide
CID 113053362
5-(ethylaminomethyl)-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide
CID 106077013
5-(aminomethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide
CID 43155671
N-dodecyl-5-[[(4-methylsulfonylphenyl)methylamino]methyl]thiophene-2-sulfonamide
CID 69156658
2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid
CID 29045889
5-(ethylaminomethyl)-N-(5-methoxypentyl)pyridine-2-sulfonamide
CID 106092686

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-sulfonamide (CID 106092710) is 5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-sulfonamide is CCNCc1ccc(S(=O)(=O)NCCCCCOC)s1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-sulfonamide?
The InChIKey is JMBFJTPPINVNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S2/c1-3-14-11-12-7-8-13(19-12)20(16,17)15-9-5-4-6-10-18-2/h7-8,14-15H,3-6,9-11H2,1-2H3.
What are the key properties of 5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-sulfonamide?
5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-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 5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106092710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).