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

Pyridine-3-sulfonamide
CID 232710
3-(Piperidin-1-ylsulphonyl)pyridine
CID 3623948
(E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-methylsulfonylprop-2-enenitrile
CID 5703330
4-[2-(2,2-Dicyanovinyl)pyrrolyl]benzenesulfonamide
CID 801718
N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 668955
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3244281
2-Cyano-1-methylpyridin-1-ium methanesulfonate
CID 112866
3-[(Pyrrolidin-1-yl)sulphonyl]pyridine
CID 13063498
Pyridin-2-ylmethanesulfonamide
CID 18680380
2-Methylpyridine-3-sulfonamide
CID 22409057
6-Methylpyridine-3-sulfonic acid
CID 271587
1-(Phenylsulfonyl)-2-pyrrolecarbonitrile
CID 4296455

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).