2-[1-[(6-cyano-3-pyridinyl)sulfonyl]piperidin-4-yl]acetamide

C13H16N4O3S — CID 115602654

IUPAC2-[1-[(6-cyano-3-pyridinyl)sulfonyl]piperidin-4-yl]acetamide
SMILESN#Cc1ccc(S(=O)(=O)N2CCC(CC(N)=O)CC2)cn1
InChIInChI=1S/C13H16N4O3S/c14-8-11-1-2-12(9-16-11)21(19,20)17-5-3-10(4-6-17)7-13(15)18/h1-2,9-10H,3-7H2,(H2,15,18)
InChIKeyCVGCHIUFIDVUBC-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.23
Rot. Bonds4

About 2-[1-[(6-cyano-3-pyridinyl)sulfonyl]piperidin-4-yl]acetamide

2-[1-[(6-cyano-3-pyridinyl)sulfonyl]piperidin-4-yl]acetamide (PubChem CID 115602654) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[1-[(6-cyano-3-pyridinyl)sulfonyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(6-cyano-3-pyridinyl)sulfonyl]piperidin-4-yl]acetamide
PubChem CID115602654
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name2-[1-[(6-cyano-3-pyridinyl)sulfonyl]piperidin-4-yl]acetamide
SMILESN#Cc1ccc(S(=O)(=O)N2CCC(CC(N)=O)CC2)cn1
InChIInChI=1S/C13H16N4O3S/c14-8-11-1-2-12(9-16-11)21(19,20)17-5-3-10(4-6-17)7-13(15)18/h1-2,9-10H,3-7H2,(H2,15,18)
InChIKeyCVGCHIUFIDVUBC-UHFFFAOYSA-N
XLogP0.23
TPSA117.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-aminopiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 113296343
5-(4-acetylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 114614764
4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide
CID 115638462
5-thiomorpholin-4-ylsulfonylpyridine-2-carbonitrile
CID 115602649
5-[3-(methylamino)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 115752142
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 103990794
5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 103833912
5-(2-formylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 114614929
2-[1-[(6-cyano-3-pyridinyl)sulfonyl]azetidin-3-yl]propanoic acid
CID 114612973
5-[2-(hydroxymethyl)piperidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 114613814
2-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]acetic acid
CID 78979719
4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61068404

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-cyano-3-pyridinyl)sulfonyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[(6-cyano-3-pyridinyl)sulfonyl]piperidin-4-yl]acetamide (CID 115602654) is 2-[1-[(6-cyano-3-pyridinyl)sulfonyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[(6-cyano-3-pyridinyl)sulfonyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[(6-cyano-3-pyridinyl)sulfonyl]piperidin-4-yl]acetamide is N#Cc1ccc(S(=O)(=O)N2CCC(CC(N)=O)CC2)cn1.
What is the InChIKey of 2-[1-[(6-cyano-3-pyridinyl)sulfonyl]piperidin-4-yl]acetamide?
The InChIKey is CVGCHIUFIDVUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c14-8-11-1-2-12(9-16-11)21(19,20)17-5-3-10(4-6-17)7-13(15)18/h1-2,9-10H,3-7H2,(H2,15,18).
What are the key properties of 2-[1-[(6-cyano-3-pyridinyl)sulfonyl]piperidin-4-yl]acetamide?
2-[1-[(6-cyano-3-pyridinyl)sulfonyl]piperidin-4-yl]acetamide has a molecular weight of 308.36 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-cyano-3-pyridinyl)sulfonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 115602654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).