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

C11H20N2O3S2 — CID 114142024

IUPACN-(2-ethoxypropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCCOC(C)CNS(=O)(=O)c1ccsc1CNC
InChIInChI=1S/C11H20N2O3S2/c1-4-16-9(2)7-13-18(14,15)11-5-6-17-10(11)8-12-3/h5-6,9,12-13H,4,7-8H2,1-3H3
InChIKeyMMIPOZOYTGAFOD-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.17
Rot. Bonds8

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

N-(2-ethoxypropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 114142024) has the molecular formula C11H20N2O3S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(2-ethoxypropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxypropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID114142024
Molecular FormulaC11H20N2O3S2
Molecular Weight292.43 g/mol
Exact Mass292.09
IUPAC NameN-(2-ethoxypropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCCOC(C)CNS(=O)(=O)c1ccsc1CNC
InChIInChI=1S/C11H20N2O3S2/c1-4-16-9(2)7-13-18(14,15)11-5-6-17-10(11)8-12-3/h5-6,9,12-13H,4,7-8H2,1-3H3
InChIKeyMMIPOZOYTGAFOD-UHFFFAOYSA-N
XLogP1.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxypropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106078715
N-(3-methoxy-2-methylpropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106050753
2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 114141131
N-(2-ethoxypropyl)-2-fluoro-5-(methylaminomethyl)benzenesulfonamide
CID 106078669
2-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide
CID 114174631
N-(4-ethylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 107215762
2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 106030940
N-(4-methoxybutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114141493
3-bromo-N-(2-ethoxypropyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106078735
N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114132383
N-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106017177
5-chloro-N-(2-ethoxypropyl)-2-fluoro-3-(methylaminomethyl)benzenesulfonamide
CID 106078892

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(2-ethoxypropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide (CID 114142024) is N-(2-ethoxypropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(2-ethoxypropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(2-ethoxypropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide is CCOC(C)CNS(=O)(=O)c1ccsc1CNC.
What is the InChIKey of N-(2-ethoxypropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is MMIPOZOYTGAFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S2/c1-4-16-9(2)7-13-18(14,15)11-5-6-17-10(11)8-12-3/h5-6,9,12-13H,4,7-8H2,1-3H3.
What are the key properties of N-(2-ethoxypropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
N-(2-ethoxypropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 292.43 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 114142024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).