5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile

C10H11N3O2S — CID 155230614

IUPAC5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile
SMILESCN1CC(S(=O)(=O)c2ccc(C#N)nc2)C1
InChIInChI=1S/C10H11N3O2S/c1-13-6-10(7-13)16(14,15)9-3-2-8(4-11)12-5-9/h2-3,5,10H,6-7H2,1H3
InChIKeyLORUNGGGIKAGMS-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.04
Rot. Bonds2

About 5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile

5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile (PubChem CID 155230614) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile
PubChem CID155230614
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile
SMILESCN1CC(S(=O)(=O)c2ccc(C#N)nc2)C1
InChIInChI=1S/C10H11N3O2S/c1-13-6-10(7-13)16(14,15)9-3-2-8(4-11)12-5-9/h2-3,5,10H,6-7H2,1H3
InChIKeyLORUNGGGIKAGMS-UHFFFAOYSA-N
XLogP0.04
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile;hydrochloride
CID 170994458
tert-butyl 3-[(6-cyano-3-pyridinyl)sulfonyl]azetidine-1-carboxylate
CID 155230392
6-cyano-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
CID 114613912
5-[3-(methylamino)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 115752142
6-cyano-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide
CID 115602812
2-[1-[(6-cyano-3-pyridinyl)sulfonyl]azetidin-3-yl]propanoic acid
CID 114612973
6-cyano-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide
CID 113229615
5-(2,2,6-trimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile
CID 115602772
5-(4-aminopiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 113296343
4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide
CID 115638462
5-[3-(dimethylamino)piperidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 115630482
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 103990794

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile?
The IUPAC name of 5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile (CID 155230614) is 5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile.
What is the SMILES notation for 5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile?
The canonical SMILES for 5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile is CN1CC(S(=O)(=O)c2ccc(C#N)nc2)C1.
What is the InChIKey of 5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile?
The InChIKey is LORUNGGGIKAGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-13-6-10(7-13)16(14,15)9-3-2-8(4-11)12-5-9/h2-3,5,10H,6-7H2,1H3.
What are the key properties of 5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile?
5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile has a molecular weight of 237.28 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile is sourced from PubChem (CID 155230614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).