N-(2-ethoxypropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide

C13H24N2O3S2 — CID 106078715

IUPACN-(2-ethoxypropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1sccc1S(=O)(=O)NCC(C)OCC
InChIInChI=1S/C13H24N2O3S2/c1-4-7-14-10-12-13(6-8-19-12)20(16,17)15-9-11(3)18-5-2/h6,8,11,14-15H,4-5,7,9-10H2,1-3H3
InChIKeyGVWIDWVXLGFXHH-UHFFFAOYSA-N
MW320.48 g/mol
LogP1.95
Rot. Bonds10

About N-(2-ethoxypropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide

N-(2-ethoxypropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106078715) has the molecular formula C13H24N2O3S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-(2-ethoxypropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxypropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
PubChem CID106078715
Molecular FormulaC13H24N2O3S2
Molecular Weight320.48 g/mol
Exact Mass320.12
IUPAC NameN-(2-ethoxypropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1sccc1S(=O)(=O)NCC(C)OCC
InChIInChI=1S/C13H24N2O3S2/c1-4-7-14-10-12-13(6-8-19-12)20(16,17)15-9-11(3)18-5-2/h6,8,11,14-15H,4-5,7,9-10H2,1-3H3
InChIKeyGVWIDWVXLGFXHH-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
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

N-(2-ethoxypropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114142024
N-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106017177
N-[2-(2-methylpropoxy)ethyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106085314
N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106026704
N-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106080826
2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 106059176
N-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106331888
N-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106061353
2-(propylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 106088593
2-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106051327
2-(propylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-sulfonamide
CID 79361702
N-(4-ethylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106084591

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(2-ethoxypropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide (CID 106078715) is N-(2-ethoxypropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(2-ethoxypropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(2-ethoxypropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide is CCCNCc1sccc1S(=O)(=O)NCC(C)OCC.
What is the InChIKey of N-(2-ethoxypropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is GVWIDWVXLGFXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S2/c1-4-7-14-10-12-13(6-8-19-12)20(16,17)15-9-11(3)18-5-2/h6,8,11,14-15H,4-5,7,9-10H2,1-3H3.
What are the key properties of N-(2-ethoxypropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
N-(2-ethoxypropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 320.48 g/mol, XLogP of 1.95, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106078715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).