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

C10H12ClN3O2S — CID 170994458

IUPAC5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile;hydrochloride
SMILESCN1CC(S(=O)(=O)c2ccc(C#N)nc2)C1.Cl
InChIInChI=1S/C10H11N3O2S.ClH/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;1H
InChIKeyWCOQEWUFMDXXNI-UHFFFAOYSA-N
MW273.75 g/mol
LogP0.46
Rot. Bonds2

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

5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile;hydrochloride (PubChem CID 170994458) has the molecular formula C10H12ClN3O2S and a molecular weight of 273.75 g/mol. Its IUPAC name is 5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Name5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile;hydrochloride
PubChem CID170994458
Molecular FormulaC10H12ClN3O2S
Molecular Weight273.75 g/mol
Exact Mass273.03
IUPAC Name5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile;hydrochloride
SMILESCN1CC(S(=O)(=O)c2ccc(C#N)nc2)C1.Cl
InChIInChI=1S/C10H11N3O2S.ClH/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;1H
InChIKeyWCOQEWUFMDXXNI-UHFFFAOYSA-N
XLogP0.46
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.75
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile
CID 155230614
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;hydrochloride?
The IUPAC name of 5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile;hydrochloride (CID 170994458) is 5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile;hydrochloride.
What is the SMILES notation for 5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile;hydrochloride?
The canonical SMILES for 5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile;hydrochloride is CN1CC(S(=O)(=O)c2ccc(C#N)nc2)C1.Cl.
What is the InChIKey of 5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile;hydrochloride?
The InChIKey is WCOQEWUFMDXXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S.ClH/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;1H.
What are the key properties of 5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile;hydrochloride?
5-(1-methylazetidin-3-yl)sulfonylpyridine-2-carbonitrile;hydrochloride has a molecular weight of 273.75 g/mol, XLogP of 0.46, 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;hydrochloride is sourced from PubChem (CID 170994458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).