2-cyano-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide

C12H12N4O2S — CID 106545724

IUPAC2-cyano-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide
SMILESN#CCCN(C1CC1)S(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C12H12N4O2S/c13-6-2-8-16(10-4-5-10)19(17,18)12-3-1-7-15-11(12)9-14/h1,3,7,10H,2,4-5,8H2
InChIKeyANOHYNZCANXQTB-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.02
Rot. Bonds5

About 2-cyano-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide

2-cyano-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide (PubChem CID 106545724) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-cyano-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide
PubChem CID106545724
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name2-cyano-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide
SMILESN#CCCN(C1CC1)S(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C12H12N4O2S/c13-6-2-8-16(10-4-5-10)19(17,18)12-3-1-7-15-11(12)9-14/h1,3,7,10H,2,4-5,8H2
InChIKeyANOHYNZCANXQTB-UHFFFAOYSA-N
XLogP1.02
TPSA97.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide
CID 62159326
2-cyano-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide
CID 106546859
2-cyano-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 106545449
2-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
CID 106545411
N-(2-cyanoethyl)-N-cyclopropyl-8-methylquinoline-5-sulfonamide
CID 60579966
N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide
CID 103305242
N-(2-cyanoethyl)-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 60580456
N-(2-cyanoethyl)-N-cyclopropyl-2-(methylamino)pyridine-4-sulfonamide
CID 62158783
2-cyano-N-methyl-N-pentan-3-ylpyridine-3-sulfonamide
CID 106545415
3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596981
2-cyano-N-methoxy-N-methylpyridine-3-sulfonamide
CID 106545270
2-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide
CID 106608008

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide (CID 106545724) is 2-cyano-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide is N#CCCN(C1CC1)S(=O)(=O)c1cccnc1C#N.
What is the InChIKey of 2-cyano-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide?
The InChIKey is ANOHYNZCANXQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c13-6-2-8-16(10-4-5-10)19(17,18)12-3-1-7-15-11(12)9-14/h1,3,7,10H,2,4-5,8H2.
What are the key properties of 2-cyano-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide?
2-cyano-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide has a molecular weight of 276.32 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide is sourced from PubChem (CID 106545724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).