N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide

C13H18N4O2S — CID 103305242

IUPACN-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)N(CCC#N)C1CC1
InChIInChI=1S/C13H18N4O2S/c1-2-15-12-5-3-9-16-13(12)20(18,19)17(10-4-8-14)11-6-7-11/h3,5,9,11,15H,2,4,6-7,10H2,1H3
InChIKeyRKXIDHVWBKAFTI-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.58
Rot. Bonds7

About N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide

N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide (PubChem CID 103305242) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide
PubChem CID103305242
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)N(CCC#N)C1CC1
InChIInChI=1S/C13H18N4O2S/c1-2-15-12-5-3-9-16-13(12)20(18,19)17(10-4-8-14)11-6-7-11/h3,5,9,11,15H,2,4,6-7,10H2,1H3
InChIKeyRKXIDHVWBKAFTI-UHFFFAOYSA-N
XLogP1.58
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)pyridine-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

Related Compounds

N-cyclopropyl-3-(ethylamino)-N-(2-methylpropyl)pyridine-2-sulfonamide
CID 103305175
N-(2-cyanoethyl)-3-(ethylamino)-N-propan-2-ylpyridine-2-sulfonamide
CID 103305526
2-cyano-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide
CID 106545724
2-amino-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide
CID 62159326
N-(2-cyanoethyl)-N-cyclopropyl-8-methylquinoline-5-sulfonamide
CID 60579966
N-cyclopropyl-3-(methylamino)-N-(3-methylbutyl)pyridine-2-sulfonamide
CID 103305597
3-(ethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-sulfonamide
CID 103303867
N-cyclohexyl-N-ethyl-3-(methylamino)pyridine-2-sulfonamide
CID 103303879
N-(2-cyanoethyl)-N-cyclopropyl-2-(methylamino)pyridine-4-sulfonamide
CID 62158783
N-cyclopropyl-3-fluoro-N-propylpyridine-2-sulfonamide
CID 103299212
N-ethyl-3-(ethylamino)-N-propylpyridine-2-sulfonamide
CID 103304413
N,N-dibutyl-3-(ethylamino)pyridine-2-sulfonamide
CID 103304336

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide (CID 103305242) is N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide is CCNc1cccnc1S(=O)(=O)N(CCC#N)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide?
The InChIKey is RKXIDHVWBKAFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-2-15-12-5-3-9-16-13(12)20(18,19)17(10-4-8-14)11-6-7-11/h3,5,9,11,15H,2,4,6-7,10H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide?
N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103305242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).