2-[1-(Ethylsulfonyl)-3-azetidinylidene]acetonitrile

C₇H₁₀N₂O₂SCAS 1187595-85-2186.23 g/mol

Open in Covalent MOL file

Alkene Nitrile Sulfonamide

Properties

Molecular formula: C₇H₁₀N₂O₂S
Molar mass: 186.23 g/mol
Exact mass: 186.0463 Da
logP: 0.10Crippen estimate
Polar surface area: 61.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

1187595-85-2

SMILES

CCS(=O)(=O)N1CC(=CC#N)C1

InChIKey

HQUIOHSYUKWGOM-UHFFFAOYSA-N

InChI

InChI=1S/C7H10N2O2S/c1-2-12(10,11)9-5-7(6-9)3-4-8/h3H,2,5-6H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

Acetonitrile, 2-[1-(ethylsulfonyl)-3-azetidinylidene]-
[1-(Ethylsulfonyl)azetidin-3-ylidene]acetonitrile
2-[1-(Ethanesulfonyl)azetidin-3-ylidene]acetonitrile

Work with 2-[1-(Ethylsulfonyl)-3-azetidinylidene]acetonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(tert-Butoxycarbonyl)-3-(cyanomethylene)azetidine1153949-11-139 % similar 3-(Cyanomethylene)cyclobutanecarbonitrile1153949-98-432 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Tosylhydrazine1576-35-8 Carbimazole22232-54-8 4,6-Dimethyl-2-(methylsulfonyl)pyrimidine35144-22-0 Ethyl 2-amino-4-thiazoleacetate53266-94-7 4-Amino-3-methylbenzenesulfonamide53297-70-4 3-Amino-4-methylbenzenesulfonamide6274-28-8 5-Amino-2-methylbenzenesulfonamide6973-09-7 P-(Methylsulfonyl)phenylhydrazine877-66-7

Elsewhere

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