6-cyano-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide

C11H16N4O2S — CID 114614843

IUPAC6-cyano-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide
SMILESCCCNCCNS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C11H16N4O2S/c1-2-5-13-6-7-15-18(16,17)11-4-3-10(8-12)14-9-11/h3-4,9,13,15H,2,5-7H2,1H3
InChIKeyAMWKARAIGOPDJC-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.23
Rot. Bonds7

About 6-cyano-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide

6-cyano-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide (PubChem CID 114614843) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 6-cyano-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide
PubChem CID114614843
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name6-cyano-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide
SMILESCCCNCCNS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C11H16N4O2S/c1-2-5-13-6-7-15-18(16,17)11-4-3-10(8-12)14-9-11/h3-4,9,13,15H,2,5-7H2,1H3
InChIKeyAMWKARAIGOPDJC-UHFFFAOYSA-N
XLogP0.23
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-cyano-N-[2-(propylamino)ethyl]pyridine-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

6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
6-cyano-N-pentylpyridine-3-sulfonamide
CID 115602354
6-cyano-N-hexylpyridine-3-sulfonamide
CID 113229666
6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 115602709
6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 115754118
6-cyano-N-(2-pyrazol-1-ylethyl)pyridine-3-sulfonamide
CID 114613817
6-cyano-N-(3-pyrazol-1-ylpropyl)pyridine-3-sulfonamide
CID 115602579
2-[2-[(6-cyano-3-pyridinyl)sulfonylamino]ethoxy]acetamide
CID 103837965
6-cyano-N-(2,2-dimethylheptyl)pyridine-3-sulfonamide
CID 115690391
6-cyano-N-[3-(cyclopropylamino)propyl]pyridine-3-sulfonamide
CID 114614830
7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid
CID 115776570
6-cyano-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 115602773

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide (CID 114614843) is 6-cyano-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide is CCCNCCNS(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide?
The InChIKey is AMWKARAIGOPDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-2-5-13-6-7-15-18(16,17)11-4-3-10(8-12)14-9-11/h3-4,9,13,15H,2,5-7H2,1H3.
What are the key properties of 6-cyano-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide?
6-cyano-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide has a molecular weight of 268.34 g/mol, XLogP of 0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 114614843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).