5-[3-(methylamino)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile

C11H14N4O2S — CID 115752142

IUPAC5-[3-(methylamino)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
SMILESCNC1CCN(S(=O)(=O)c2ccc(C#N)nc2)C1
InChIInChI=1S/C11H14N4O2S/c1-13-10-4-5-15(8-10)18(16,17)11-3-2-9(6-12)14-7-11/h2-3,7,10,13H,4-5,8H2,1H3
InChIKeyNVKFZYGCSKYUDH-UHFFFAOYSA-N
MW266.33 g/mol
LogP-0.06
Rot. Bonds3

About 5-[3-(methylamino)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile

5-[3-(methylamino)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile (PubChem CID 115752142) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 5-[3-(methylamino)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(methylamino)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
PubChem CID115752142
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name5-[3-(methylamino)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
SMILESCNC1CCN(S(=O)(=O)c2ccc(C#N)nc2)C1
InChIInChI=1S/C11H14N4O2S/c1-13-10-4-5-15(8-10)18(16,17)11-3-2-9(6-12)14-7-11/h2-3,7,10,13H,4-5,8H2,1H3
InChIKeyNVKFZYGCSKYUDH-UHFFFAOYSA-N
XLogP-0.06
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 103990794
5-(4-aminopiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 113296343
5-(4-acetylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 114614764
5-[3-(dimethylamino)piperidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 115630482
4-[3-(methylamino)piperidin-1-yl]sulfonylbenzonitrile
CID 62536756
4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide
CID 115638462
5-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]pyridine-2-carbonitrile
CID 115870405
5-thiomorpholin-4-ylsulfonylpyridine-2-carbonitrile
CID 115602649
2-[1-[(6-cyano-3-pyridinyl)sulfonyl]piperidin-4-yl]acetamide
CID 115602654
2-[1-[(6-cyano-3-pyridinyl)sulfonyl]azetidin-3-yl]propanoic acid
CID 114612973
5-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)sulfonyl]pyridine-2-carbonitrile
CID 115682004
5-(2,2,6-trimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile
CID 115602772

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylamino)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile?
The IUPAC name of 5-[3-(methylamino)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile (CID 115752142) is 5-[3-(methylamino)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile.
What is the SMILES notation for 5-[3-(methylamino)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile?
The canonical SMILES for 5-[3-(methylamino)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile is CNC1CCN(S(=O)(=O)c2ccc(C#N)nc2)C1.
What is the InChIKey of 5-[3-(methylamino)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile?
The InChIKey is NVKFZYGCSKYUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-13-10-4-5-15(8-10)18(16,17)11-3-2-9(6-12)14-7-11/h2-3,7,10,13H,4-5,8H2,1H3.
What are the key properties of 5-[3-(methylamino)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile?
5-[3-(methylamino)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile has a molecular weight of 266.33 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylamino)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile is sourced from PubChem (CID 115752142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).