5-(aminomethyl)-N-(2-ethoxypropyl)thiophene-3-sulfonamide

C10H18N2O3S2 — CID 114142018

IUPAC5-(aminomethyl)-N-(2-ethoxypropyl)thiophene-3-sulfonamide
SMILESCCOC(C)CNS(=O)(=O)c1csc(CN)c1
InChIInChI=1S/C10H18N2O3S2/c1-3-15-8(2)6-12-17(13,14)10-4-9(5-11)16-7-10/h4,7-8,12H,3,5-6,11H2,1-2H3
InChIKeyWASGFHZHOZFGOG-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.91
Rot. Bonds7

About 5-(aminomethyl)-N-(2-ethoxypropyl)thiophene-3-sulfonamide

5-(aminomethyl)-N-(2-ethoxypropyl)thiophene-3-sulfonamide (PubChem CID 114142018) has the molecular formula C10H18N2O3S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-ethoxypropyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-ethoxypropyl)thiophene-3-sulfonamide
PubChem CID114142018
Molecular FormulaC10H18N2O3S2
Molecular Weight278.40 g/mol
Exact Mass278.08
IUPAC Name5-(aminomethyl)-N-(2-ethoxypropyl)thiophene-3-sulfonamide
SMILESCCOC(C)CNS(=O)(=O)c1csc(CN)c1
InChIInChI=1S/C10H18N2O3S2/c1-3-15-8(2)6-12-17(13,14)10-4-9(5-11)16-7-10/h4,7-8,12H,3,5-6,11H2,1-2H3
InChIKeyWASGFHZHOZFGOG-UHFFFAOYSA-N
XLogP0.91
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(2-methoxypropyl)thiophene-3-sulfonamide
CID 102701613
5-(aminomethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide
CID 115409051
5-(aminomethyl)-N-(2-ethoxypropyl)-2-methylthiophene-3-sulfonamide
CID 106078844
6-(aminomethyl)-N-(2-ethoxypropyl)pyridine-3-sulfonamide
CID 114613742
3-(aminomethyl)-4-chloro-N-(2-ethoxypropyl)benzenesulfonamide
CID 106078885
4-N-(2-ethoxypropyl)benzene-1,4-disulfonamide
CID 115650655
5-(aminomethyl)-N-(2,2-dimethylbutyl)thiophene-3-sulfonamide
CID 103466132
5-(aminomethyl)-N-(1-methoxypropan-2-yl)thiophene-3-sulfonamide
CID 106056951
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide
CID 106079881
5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]thiophene-3-sulfonamide
CID 114102371
4-(2-aminoethoxy)-N-(2-ethoxypropyl)benzenesulfonamide
CID 106078716
N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide
CID 166983040

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-ethoxypropyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-ethoxypropyl)thiophene-3-sulfonamide (CID 114142018) is 5-(aminomethyl)-N-(2-ethoxypropyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-ethoxypropyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-ethoxypropyl)thiophene-3-sulfonamide is CCOC(C)CNS(=O)(=O)c1csc(CN)c1.
What is the InChIKey of 5-(aminomethyl)-N-(2-ethoxypropyl)thiophene-3-sulfonamide?
The InChIKey is WASGFHZHOZFGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S2/c1-3-15-8(2)6-12-17(13,14)10-4-9(5-11)16-7-10/h4,7-8,12H,3,5-6,11H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(2-ethoxypropyl)thiophene-3-sulfonamide?
5-(aminomethyl)-N-(2-ethoxypropyl)thiophene-3-sulfonamide has a molecular weight of 278.40 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-ethoxypropyl)thiophene-3-sulfonamide is sourced from PubChem (CID 114142018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).