N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyanopyridine-3-sulfonamide

C13H16N4O2S — CID 106595449

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyanopyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)NC1CN2CCC1CC2
InChIInChI=1S/C13H16N4O2S/c14-8-11-13(2-1-5-15-11)20(18,19)16-12-9-17-6-3-10(12)4-7-17/h1-2,5,10,12,16H,3-4,6-7,9H2
InChIKeyLZYFAFKNYCYJCH-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.33
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyanopyridine-3-sulfonamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyanopyridine-3-sulfonamide (PubChem CID 106595449) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyanopyridine-3-sulfonamide
PubChem CID106595449
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyanopyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)NC1CN2CCC1CC2
InChIInChI=1S/C13H16N4O2S/c14-8-11-13(2-1-5-15-11)20(18,19)16-12-9-17-6-3-10(12)4-7-17/h1-2,5,10,12,16H,3-4,6-7,9H2
InChIKeyLZYFAFKNYCYJCH-UHFFFAOYSA-N
XLogP0.33
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-((2R,3R)-2-Pyridin-3-ylmethyl-1-aza-bicyclo[2.2.2]oct-3-yl)-benzenesulfonamide
CID 44401791
4-Methyl-1'-(pyridin-3-ylsulfonyl)-1,4'-bipiperidine
CID 118308386
N-(2-(4-ethylpiperazin-1-yl)-2-(pyridin-3-yl)ethyl)benzenesulfonamide
CID 18554630
3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 110220192
N-((1-isopropylpiperidin-4-yl)methyl)pyridine-3-sulfonamide
CID 45558510
4-methyl-N-[[(2R,4S,5S)-5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzenesulfonamide
CID 28991075
N-[[(2R,4S,5S)-5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzenesulfonamide
CID 40780542
N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-sulfonamide
CID 45560075
3-cyano-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]benzenesulfonamide
CID 91922971
N-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]methanesulfonamide
CID 86802955
N-[(1S)-1-pyridin-2-ylethyl]pyridine-3-sulfonamide
CID 93622023
N-[(2S)-1-piperidin-1-ylpropan-2-yl]pyridine-3-sulfonamide
CID 99827269

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyanopyridine-3-sulfonamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyanopyridine-3-sulfonamide (CID 106595449) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyanopyridine-3-sulfonamide is N#Cc1ncccc1S(=O)(=O)NC1CN2CCC1CC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyanopyridine-3-sulfonamide?
The InChIKey is LZYFAFKNYCYJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c14-8-11-13(2-1-5-15-11)20(18,19)16-12-9-17-6-3-10(12)4-7-17/h1-2,5,10,12,16H,3-4,6-7,9H2.
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyanopyridine-3-sulfonamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyanopyridine-3-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 106595449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).