3-(3,4-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile

C13H17N3O2S — CID 106546645

IUPAC3-(3,4-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
SMILESCC1CCN(S(=O)(=O)c2cccnc2C#N)CC1C
InChIInChI=1S/C13H17N3O2S/c1-10-5-7-16(9-11(10)2)19(17,18)13-4-3-6-15-12(13)8-14/h3-4,6,10-11H,5,7,9H2,1-2H3
InChIKeyDEUSVJOYPQINPC-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.62
Rot. Bonds2

About 3-(3,4-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile

3-(3,4-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile (PubChem CID 106546645) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 3-(3,4-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(3,4-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
PubChem CID106546645
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name3-(3,4-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
SMILESCC1CCN(S(=O)(=O)c2cccnc2C#N)CC1C
InChIInChI=1S/C13H17N3O2S/c1-10-5-7-16(9-11(10)2)19(17,18)13-4-3-6-15-12(13)8-14/h3-4,6,10-11H,5,7,9H2,1-2H3
InChIKeyDEUSVJOYPQINPC-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 106595489
methyl 1-[(2-cyano-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 106545929
3-(4-acetylpiperazin-1-yl)sulfonylpyridine-2-carbonitrile
CID 106545073
2-(3,4-dimethylpiperidin-1-yl)sulfonylpyridin-3-amine
CID 103307665
3-[(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)sulfonyl]pyridine-2-carbonitrile
CID 106598683
3-(2-cyanopyrrolidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 106595218
3-(3,4-dimethylpiperidin-1-yl)sulfonyl-4-methylbenzonitrile
CID 115872288
3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyridine-2-carbonitrile
CID 106546619
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyanopyridine-3-sulfonamide
CID 106595449
3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 79188499
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-3-ol
CID 102964473
1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol
CID 106594973

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile?
The IUPAC name of 3-(3,4-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile (CID 106546645) is 3-(3,4-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile.
What is the SMILES notation for 3-(3,4-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile?
The canonical SMILES for 3-(3,4-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile is CC1CCN(S(=O)(=O)c2cccnc2C#N)CC1C.
What is the InChIKey of 3-(3,4-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile?
The InChIKey is DEUSVJOYPQINPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-10-5-7-16(9-11(10)2)19(17,18)13-4-3-6-15-12(13)8-14/h3-4,6,10-11H,5,7,9H2,1-2H3.
What are the key properties of 3-(3,4-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile?
3-(3,4-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile has a molecular weight of 279.37 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile is sourced from PubChem (CID 106546645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).