4-Propargylthiomorpholine 1,1-dioxide

C₇H₁₁NO₂SCAS 10442-03-2173.23 g/mol

Open in Covalent MOL file

Alkyne Sulfone Tertiary amine

Properties

Molecular formula: C₇H₁₁NO₂S
Molar mass: 173.23 g/mol
Exact mass: 173.0510 Da
logP: -0.65Crippen estimate
Polar surface area: 37.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

10442-03-2

SMILES

C#CCN1CCS(=O)(=O)CC1

InChIKey

CZBZIZOYSYHBNM-UHFFFAOYSA-N

InChI

InChI=1S/C7H11NO2S/c1-2-3-8-4-6-11(9,10)7-5-8/h1H,3-7H2

Weigh it out

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

Work with 4-Propargylthiomorpholine 1,1-dioxide

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

N-Propargylmorpholine5799-76-846 % similar 2-Propyn-1-amine, N,N-diethyl-, radical ion(1+)125678-52-639 % similar Diethylpropargylamine4079-68-939 % similar N,N-Dimethylpropargylamine7223-38-332 % similar Sulfolane126-33-032 % similar

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

Same formula

Methyl 3-amino-4,5-dihydro-4-methyl-2-thiophenecarboxylate125089-02-3

Elsewhere

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