3-(2-cyanopyrrolidin-1-yl)sulfonylpyridine-2-carbonitrile

C11H10N4O2S — CID 106595218

IUPAC3-(2-cyanopyrrolidin-1-yl)sulfonylpyridine-2-carbonitrile
SMILESN#Cc1ncccc1S(=O)(=O)N1CCCC1C#N
InChIInChI=1S/C11H10N4O2S/c12-7-9-3-2-6-15(9)18(16,17)11-4-1-5-14-10(11)8-13/h1,4-5,9H,2-3,6H2
InChIKeyUBEHSAOLBVKWFB-UHFFFAOYSA-N
MW262.29 g/mol
LogP0.63
Rot. Bonds2

About 3-(2-cyanopyrrolidin-1-yl)sulfonylpyridine-2-carbonitrile

3-(2-cyanopyrrolidin-1-yl)sulfonylpyridine-2-carbonitrile (PubChem CID 106595218) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 3-(2-cyanopyrrolidin-1-yl)sulfonylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(2-cyanopyrrolidin-1-yl)sulfonylpyridine-2-carbonitrile
PubChem CID106595218
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name3-(2-cyanopyrrolidin-1-yl)sulfonylpyridine-2-carbonitrile
SMILESN#Cc1ncccc1S(=O)(=O)N1CCCC1C#N
InChIInChI=1S/C11H10N4O2S/c12-7-9-3-2-6-15(9)18(16,17)11-4-1-5-14-10(11)8-13/h1,4-5,9H,2-3,6H2
InChIKeyUBEHSAOLBVKWFB-UHFFFAOYSA-N
XLogP0.63
TPSA97.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,6-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 106595489
3-(3,4-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 106546645
3-[(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)sulfonyl]pyridine-2-carbonitrile
CID 106598683
methyl 1-[(2-cyano-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 106545929
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-cyanopyridine-3-sulfonamide
CID 106596203
(2S,4S)-1-[(2-cyano-3-pyridinyl)sulfonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106593338
1-(4-bromofuran-3-yl)sulfonylpyrrolidine-2-carbonitrile
CID 167781383
3-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 129350720
(2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile
CID 146541443
3-(4-acetylpiperazin-1-yl)sulfonylpyridine-2-carbonitrile
CID 106545073
2-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 106595671
3-(2,3-dihydroindol-1-ylsulfonyl)pyridine-2-carbonitrile
CID 106545109

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanopyrrolidin-1-yl)sulfonylpyridine-2-carbonitrile?
The IUPAC name of 3-(2-cyanopyrrolidin-1-yl)sulfonylpyridine-2-carbonitrile (CID 106595218) is 3-(2-cyanopyrrolidin-1-yl)sulfonylpyridine-2-carbonitrile.
What is the SMILES notation for 3-(2-cyanopyrrolidin-1-yl)sulfonylpyridine-2-carbonitrile?
The canonical SMILES for 3-(2-cyanopyrrolidin-1-yl)sulfonylpyridine-2-carbonitrile is N#Cc1ncccc1S(=O)(=O)N1CCCC1C#N.
What is the InChIKey of 3-(2-cyanopyrrolidin-1-yl)sulfonylpyridine-2-carbonitrile?
The InChIKey is UBEHSAOLBVKWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c12-7-9-3-2-6-15(9)18(16,17)11-4-1-5-14-10(11)8-13/h1,4-5,9H,2-3,6H2.
What are the key properties of 3-(2-cyanopyrrolidin-1-yl)sulfonylpyridine-2-carbonitrile?
3-(2-cyanopyrrolidin-1-yl)sulfonylpyridine-2-carbonitrile has a molecular weight of 262.29 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyanopyrrolidin-1-yl)sulfonylpyridine-2-carbonitrile is sourced from PubChem (CID 106595218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).