5-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide

C13H17N3O2S2 — CID 61449447

IUPAC5-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
SMILESCCN(Cc1ccncc1)S(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C13H17N3O2S2/c1-2-16(10-11-5-7-15-8-6-11)20(17,18)13-4-3-12(9-14)19-13/h3-8H,2,9-10,14H2,1H3
InChIKeyAPBVANNCVLAMLW-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.81
Rot. Bonds6

About 5-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide

5-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide (PubChem CID 61449447) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
PubChem CID61449447
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name5-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
SMILESCCN(Cc1ccncc1)S(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C13H17N3O2S2/c1-2-16(10-11-5-7-15-8-6-11)20(17,18)13-4-3-12(9-14)19-13/h3-8H,2,9-10,14H2,1H3
InChIKeyAPBVANNCVLAMLW-UHFFFAOYSA-N
XLogP1.81
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide (CID 61449447) is 5-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide is CCN(Cc1ccncc1)S(=O)(=O)c1ccc(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is APBVANNCVLAMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-2-16(10-11-5-7-15-8-6-11)20(17,18)13-4-3-12(9-14)19-13/h3-8H,2,9-10,14H2,1H3.
What are the key properties of 5-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide?
5-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 311.43 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61449447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).