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

C13H25N3O2S2 — CID 106093650

IUPAC5-(aminomethyl)-1-ethyl-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCCCCSC)cc1CN
InChIInChI=1S/C13H25N3O2S2/c1-3-16-11-13(9-12(16)10-14)20(17,18)15-7-5-4-6-8-19-2/h9,11,15H,3-8,10,14H2,1-2H3
InChIKeySURWZBTWPHJUDZ-UHFFFAOYSA-N
MW319.50 g/mol
LogP1.78
Rot. Bonds10

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

5-(aminomethyl)-1-ethyl-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide (PubChem CID 106093650) has the molecular formula C13H25N3O2S2 and a molecular weight of 319.50 g/mol. Its IUPAC name is 5-(aminomethyl)-1-ethyl-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-1-ethyl-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide
PubChem CID106093650
Molecular FormulaC13H25N3O2S2
Molecular Weight319.50 g/mol
Exact Mass319.14
IUPAC Name5-(aminomethyl)-1-ethyl-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCCCCSC)cc1CN
InChIInChI=1S/C13H25N3O2S2/c1-3-16-11-13(9-12(16)10-14)20(17,18)15-7-5-4-6-8-19-2/h9,11,15H,3-8,10,14H2,1-2H3
InChIKeySURWZBTWPHJUDZ-UHFFFAOYSA-N
XLogP1.78
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(aminomethyl)-1-ethyl-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(aminomethyl)-1-ethyl-N-(4-methylsulfanylbutyl)pyrrole-3-sulfonamide
CID 106078027
5-(aminomethyl)-1-ethyl-N-(4,4,4-trifluorobutyl)pyrrole-3-sulfonamide
CID 115522822
5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide
CID 106059039
5-(aminomethyl)-1-ethyl-N-(3-propoxypropyl)pyrrole-3-sulfonamide
CID 106074138
5-(aminomethyl)-1-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]pyrrole-3-sulfonamide
CID 106095082
5-(aminomethyl)-N-(3-cyclopentylpropyl)-1-ethylpyrrole-3-sulfonamide
CID 106094516
1-ethyl-4-(2-methylsulfanylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644613
3-(aminomethyl)-N-(5-methylsulfanylpentyl)benzenesulfonamide
CID 106093703
1-cyclopropyl-5-(hydroxymethyl)-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide
CID 106002484
5-(aminomethyl)-1-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide
CID 106056421
1-(2-aminoethyl)-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide
CID 106093633
1-ethyl-5-(hydroxymethyl)-N-(5,5,5-trifluoropentyl)pyrrole-3-sulfonamide
CID 115522721

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-ethyl-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-1-ethyl-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide (CID 106093650) is 5-(aminomethyl)-1-ethyl-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-1-ethyl-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-1-ethyl-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide is CCn1cc(S(=O)(=O)NCCCCCSC)cc1CN.
What is the InChIKey of 5-(aminomethyl)-1-ethyl-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide?
The InChIKey is SURWZBTWPHJUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S2/c1-3-16-11-13(9-12(16)10-14)20(17,18)15-7-5-4-6-8-19-2/h9,11,15H,3-8,10,14H2,1-2H3.
What are the key properties of 5-(aminomethyl)-1-ethyl-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide?
5-(aminomethyl)-1-ethyl-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide has a molecular weight of 319.50 g/mol, XLogP of 1.78, 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-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106093650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).