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

C11H14N4O2S — CID 113296343

IUPAC5-(4-aminopiperidin-1-yl)sulfonylpyridine-2-carbonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCC(N)CC2)cn1
InChIInChI=1S/C11H14N4O2S/c12-7-10-1-2-11(8-14-10)18(16,17)15-5-3-9(13)4-6-15/h1-2,8-9H,3-6,13H2
InChIKeyDCVDGKSEOGXLSA-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.07
Rot. Bonds2

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

5-(4-aminopiperidin-1-yl)sulfonylpyridine-2-carbonitrile (PubChem CID 113296343) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 5-(4-aminopiperidin-1-yl)sulfonylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-aminopiperidin-1-yl)sulfonylpyridine-2-carbonitrile
PubChem CID113296343
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name5-(4-aminopiperidin-1-yl)sulfonylpyridine-2-carbonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCC(N)CC2)cn1
InChIInChI=1S/C11H14N4O2S/c12-7-10-1-2-11(8-14-10)18(16,17)15-5-3-9(13)4-6-15/h1-2,8-9H,3-6,13H2
InChIKeyDCVDGKSEOGXLSA-UHFFFAOYSA-N
XLogP0.07
TPSA100.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(6-cyano-3-pyridinyl)sulfonyl]piperidin-4-yl]acetamide
CID 115602654
4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide
CID 115638462
5-(4-acetylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 114614764
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-[3-(dimethylamino)piperidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 115630482
5-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]pyridine-2-carbonitrile
CID 115870405
5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzonitrile
CID 63288398
5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 103833912
5-(2-formylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 114614929
5-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)sulfonyl]pyridine-2-carbonitrile
CID 115682004

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminopiperidin-1-yl)sulfonylpyridine-2-carbonitrile?
The IUPAC name of 5-(4-aminopiperidin-1-yl)sulfonylpyridine-2-carbonitrile (CID 113296343) is 5-(4-aminopiperidin-1-yl)sulfonylpyridine-2-carbonitrile.
What is the SMILES notation for 5-(4-aminopiperidin-1-yl)sulfonylpyridine-2-carbonitrile?
The canonical SMILES for 5-(4-aminopiperidin-1-yl)sulfonylpyridine-2-carbonitrile is N#Cc1ccc(S(=O)(=O)N2CCC(N)CC2)cn1.
What is the InChIKey of 5-(4-aminopiperidin-1-yl)sulfonylpyridine-2-carbonitrile?
The InChIKey is DCVDGKSEOGXLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c12-7-10-1-2-11(8-14-10)18(16,17)15-5-3-9(13)4-6-15/h1-2,8-9H,3-6,13H2.
What are the key properties of 5-(4-aminopiperidin-1-yl)sulfonylpyridine-2-carbonitrile?
5-(4-aminopiperidin-1-yl)sulfonylpyridine-2-carbonitrile has a molecular weight of 266.33 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminopiperidin-1-yl)sulfonylpyridine-2-carbonitrile is sourced from PubChem (CID 113296343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).