3-(2,6-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile

C13H17N3O2S — CID 106595489

IUPAC3-(2,6-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
SMILESCC1CCCC(C)N1S(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C13H17N3O2S/c1-10-5-3-6-11(2)16(10)19(17,18)13-7-4-8-15-12(13)9-14/h4,7-8,10-11H,3,5-6H2,1-2H3
InChIKeyIUJZOVDTTTURLT-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.90
Rot. Bonds2

About 3-(2,6-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile

3-(2,6-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile (PubChem CID 106595489) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 3-(2,6-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(2,6-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
PubChem CID106595489
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name3-(2,6-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
SMILESCC1CCCC(C)N1S(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C13H17N3O2S/c1-10-5-3-6-11(2)16(10)19(17,18)13-7-4-8-15-12(13)9-14/h4,7-8,10-11H,3,5-6H2,1-2H3
InChIKeyIUJZOVDTTTURLT-UHFFFAOYSA-N
XLogP1.90
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-2-pyridinyl]hydrazine
CID 93051505
3-(3,4-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 106546645
3-[(2-cyano-3-pyridinyl)sulfonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 106593325
3-(2-cyanopyrrolidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 106595218
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-propylpyridin-2-amine
CID 104968712
3-[(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)sulfonyl]pyridine-2-carbonitrile
CID 106598683
2-cyano-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 106545449
3-(4-acetylpiperazin-1-yl)sulfonylpyridine-2-carbonitrile
CID 106545073
methyl 1-[(2-cyano-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 106545929
2-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 106595671
2-cyano-N-(3,5-dimethylcyclohexyl)pyridine-3-sulfonamide
CID 106546280
1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 3127957

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile?
The IUPAC name of 3-(2,6-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile (CID 106595489) is 3-(2,6-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile.
What is the SMILES notation for 3-(2,6-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile?
The canonical SMILES for 3-(2,6-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile is CC1CCCC(C)N1S(=O)(=O)c1cccnc1C#N.
What is the InChIKey of 3-(2,6-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile?
The InChIKey is IUJZOVDTTTURLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-10-5-3-6-11(2)16(10)19(17,18)13-7-4-8-15-12(13)9-14/h4,7-8,10-11H,3,5-6H2,1-2H3.
What are the key properties of 3-(2,6-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile?
3-(2,6-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile has a molecular weight of 279.37 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile is sourced from PubChem (CID 106595489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).