3-Methanesulfonylazetidine hydrochloride

C₄H₁₀ClNO₂SCAS 1400764-60-4171.64 g/mol

Open in Covalent MOL file

Secondary amine Sulfone

Properties

Molecular formula: C₄H₁₀ClNO₂S
Molar mass: 171.64 g/mol
Exact mass: 171.0121 Da
logP: -0.58Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

1400764-60-4

SMILES

CS(=O)(=O)C1CNC1.Cl

InChIKey

VGUZBHCVRWHGTL-UHFFFAOYSA-N

InChI

InChI=1S/C4H9NO2S.ClH/c1-8(6,7)4-2-5-3-4;/h4-5H,2-3H2,1H3;1H

Weigh it out

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

Names and synonyms

1 names

3-Methylsulfonyl-azetidine hydrochloride

Work with 3-Methanesulfonylazetidine hydrochloride

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

3-Azabicyclo[3.1.0]hexane, hydrochloride (1:1)73799-64-135 % similar 3-(Dimethylamino)azetidine dihydrochloride124668-49-134 % similar 3-Hydroxyazetidine hydrochloride18621-18-633 % similar 3-Ethoxyazetidine hydrochloride535924-73-333 % similar 3-Methoxymethylazetidine hydrochloride942308-06-732 % similar Octahydrocyclopenta[c]pyrrole hydrochloride112626-50-332 % similar (2S)-2-Methylmorpholine hydrochloride1147108-99-330 % similar

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

Same formula

(R)-2-Methylcysteine hydrochloride148766-37-4 (S)-2-Methylcysteine hydrochloride151062-55-4 Methyl cysteinate hydrochloride18598-63-5

Elsewhere

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