5-(4-acetylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile

C13H15N3O3S — CID 114614764

IUPAC5-(4-acetylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
SMILESCC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1
InChIInChI=1S/C13H15N3O3S/c1-10(17)11-4-6-16(7-5-11)20(18,19)13-3-2-12(8-14)15-9-13/h2-3,9,11H,4-7H2,1H3
InChIKeyBEPRFPRCKVNEML-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.94
Rot. Bonds3

About 5-(4-acetylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile

5-(4-acetylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile (PubChem CID 114614764) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 5-(4-acetylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-acetylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
PubChem CID114614764
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name5-(4-acetylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
SMILESCC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1
InChIInChI=1S/C13H15N3O3S/c1-10(17)11-4-6-16(7-5-11)20(18,19)13-3-2-12(8-14)15-9-13/h2-3,9,11H,4-7H2,1H3
InChIKeyBEPRFPRCKVNEML-UHFFFAOYSA-N
XLogP0.94
TPSA91.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-aminopiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 113296343
2-[1-[(6-cyano-3-pyridinyl)sulfonyl]piperidin-4-yl]acetamide
CID 115602654
5-[3-(methylamino)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 115752142
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 103990794
4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide
CID 115638462
5-thiomorpholin-4-ylsulfonylpyridine-2-carbonitrile
CID 115602649
2-[1-[(6-cyano-3-pyridinyl)sulfonyl]azetidin-3-yl]propanoic acid
CID 114612973
5-(2-formylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 114614929
5-[3-(dimethylamino)piperidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 115630482
5-[2-(hydroxymethyl)piperidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 114613814
5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 103833912
5-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]pyridine-2-carbonitrile
CID 115870405

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile?
The IUPAC name of 5-(4-acetylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile (CID 114614764) is 5-(4-acetylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile.
What is the SMILES notation for 5-(4-acetylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile?
The canonical SMILES for 5-(4-acetylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile is CC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1.
What is the InChIKey of 5-(4-acetylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile?
The InChIKey is BEPRFPRCKVNEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-10(17)11-4-6-16(7-5-11)20(18,19)13-3-2-12(8-14)15-9-13/h2-3,9,11H,4-7H2,1H3.
What are the key properties of 5-(4-acetylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile?
5-(4-acetylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile has a molecular weight of 293.35 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile is sourced from PubChem (CID 114614764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).