5-(aminomethyl)-1-ethyl-N-(3-propoxypropyl)pyrrole-3-sulfonamide

C13H25N3O3S — CID 106074138

IUPAC5-(aminomethyl)-1-ethyl-N-(3-propoxypropyl)pyrrole-3-sulfonamide
SMILESCCCOCCCNS(=O)(=O)c1cc(CN)n(CC)c1
InChIInChI=1S/C13H25N3O3S/c1-3-7-19-8-5-6-15-20(17,18)13-9-12(10-14)16(4-2)11-13/h9,11,15H,3-8,10,14H2,1-2H3
InChIKeyOWVMYZYKMDTWHF-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.06
Rot. Bonds10

About 5-(aminomethyl)-1-ethyl-N-(3-propoxypropyl)pyrrole-3-sulfonamide

5-(aminomethyl)-1-ethyl-N-(3-propoxypropyl)pyrrole-3-sulfonamide (PubChem CID 106074138) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 5-(aminomethyl)-1-ethyl-N-(3-propoxypropyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-1-ethyl-N-(3-propoxypropyl)pyrrole-3-sulfonamide
PubChem CID106074138
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name5-(aminomethyl)-1-ethyl-N-(3-propoxypropyl)pyrrole-3-sulfonamide
SMILESCCCOCCCNS(=O)(=O)c1cc(CN)n(CC)c1
InChIInChI=1S/C13H25N3O3S/c1-3-7-19-8-5-6-15-20(17,18)13-9-12(10-14)16(4-2)11-13/h9,11,15H,3-8,10,14H2,1-2H3
InChIKeyOWVMYZYKMDTWHF-UHFFFAOYSA-N
XLogP1.06
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.06
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-(aminomethyl)-1-ethyl-N-(4,4,4-trifluorobutyl)pyrrole-3-sulfonamide
CID 115522822
5-(aminomethyl)-1-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]pyrrole-3-sulfonamide
CID 106095082
5-(aminomethyl)-1-ethyl-N-(4-methylsulfanylbutyl)pyrrole-3-sulfonamide
CID 106078027
5-(aminomethyl)-N-(3-cyclopentylpropyl)-1-ethylpyrrole-3-sulfonamide
CID 106094516
5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide
CID 106059039
5-(aminomethyl)-1-ethyl-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide
CID 106093650
5-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-1-methylpyrrole-3-sulfonamide
CID 106001590
5-(aminomethyl)-1-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide
CID 106056421
5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide
CID 114140372
5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-1-ethylpyrrole-3-sulfonamide
CID 106068913
1-(3-aminopropyl)-N-(3-propoxypropyl)pyrazole-4-sulfonamide
CID 106074259
2-amino-N-(3-propoxypropyl)pyridine-4-sulfonamide
CID 82946971

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-ethyl-N-(3-propoxypropyl)pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-1-ethyl-N-(3-propoxypropyl)pyrrole-3-sulfonamide (CID 106074138) is 5-(aminomethyl)-1-ethyl-N-(3-propoxypropyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-1-ethyl-N-(3-propoxypropyl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-1-ethyl-N-(3-propoxypropyl)pyrrole-3-sulfonamide is CCCOCCCNS(=O)(=O)c1cc(CN)n(CC)c1.
What is the InChIKey of 5-(aminomethyl)-1-ethyl-N-(3-propoxypropyl)pyrrole-3-sulfonamide?
The InChIKey is OWVMYZYKMDTWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-3-7-19-8-5-6-15-20(17,18)13-9-12(10-14)16(4-2)11-13/h9,11,15H,3-8,10,14H2,1-2H3.
What are the key properties of 5-(aminomethyl)-1-ethyl-N-(3-propoxypropyl)pyrrole-3-sulfonamide?
5-(aminomethyl)-1-ethyl-N-(3-propoxypropyl)pyrrole-3-sulfonamide has a molecular weight of 303.43 g/mol, XLogP of 1.06, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-ethyl-N-(3-propoxypropyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106074138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).