5-[3-(dimethylamino)piperidin-1-yl]sulfonylpyridine-2-carbonitrile

C13H18N4O2S — CID 115630482

IUPAC5-[3-(dimethylamino)piperidin-1-yl]sulfonylpyridine-2-carbonitrile
SMILESCN(C)C1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1
InChIInChI=1S/C13H18N4O2S/c1-16(2)12-4-3-7-17(10-12)20(18,19)13-6-5-11(8-14)15-9-13/h5-6,9,12H,3-4,7,10H2,1-2H3
InChIKeyQFUOIYDRPILVJJ-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.67
Rot. Bonds3

About 5-[3-(dimethylamino)piperidin-1-yl]sulfonylpyridine-2-carbonitrile

5-[3-(dimethylamino)piperidin-1-yl]sulfonylpyridine-2-carbonitrile (PubChem CID 115630482) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-[3-(dimethylamino)piperidin-1-yl]sulfonylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(dimethylamino)piperidin-1-yl]sulfonylpyridine-2-carbonitrile
PubChem CID115630482
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name5-[3-(dimethylamino)piperidin-1-yl]sulfonylpyridine-2-carbonitrile
SMILESCN(C)C1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1
InChIInChI=1S/C13H18N4O2S/c1-16(2)12-4-3-7-17(10-12)20(18,19)13-6-5-11(8-14)15-9-13/h5-6,9,12H,3-4,7,10H2,1-2H3
InChIKeyQFUOIYDRPILVJJ-UHFFFAOYSA-N
XLogP0.67
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)piperidin-1-yl]sulfonylpyridine-2-carbonitrile?
The IUPAC name of 5-[3-(dimethylamino)piperidin-1-yl]sulfonylpyridine-2-carbonitrile (CID 115630482) is 5-[3-(dimethylamino)piperidin-1-yl]sulfonylpyridine-2-carbonitrile.
What is the SMILES notation for 5-[3-(dimethylamino)piperidin-1-yl]sulfonylpyridine-2-carbonitrile?
The canonical SMILES for 5-[3-(dimethylamino)piperidin-1-yl]sulfonylpyridine-2-carbonitrile is CN(C)C1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1.
What is the InChIKey of 5-[3-(dimethylamino)piperidin-1-yl]sulfonylpyridine-2-carbonitrile?
The InChIKey is QFUOIYDRPILVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-16(2)12-4-3-7-17(10-12)20(18,19)13-6-5-11(8-14)15-9-13/h5-6,9,12H,3-4,7,10H2,1-2H3.
What are the key properties of 5-[3-(dimethylamino)piperidin-1-yl]sulfonylpyridine-2-carbonitrile?
5-[3-(dimethylamino)piperidin-1-yl]sulfonylpyridine-2-carbonitrile has a molecular weight of 294.38 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)piperidin-1-yl]sulfonylpyridine-2-carbonitrile is sourced from PubChem (CID 115630482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).