3-Methanesulfonylazetidine hydrochloride

C4H10ClNO2SCAS 1400764-60-4171.64 g/mol

Open in Covalent MOL file
SOONHHCl
Secondary amineSulfone

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 hydrochloride73799-64-135 % similar 3-(Dimethylamino)azetidine dihydrochloride124668-49-134 % similar 3-Methoxyazetidine hydrochloride148644-09-134 % similar 3-Hydroxyazetidine hydrochloride18621-18-633 % similar cis-3,4-Dihydroxypyrrolid...186393-21-533 % similar 3-Ethoxyazetidine hydrochloride535924-73-333 % similar 3-Fluoroazetidine hydrochloride617718-46-433 % similar Methyl azetidine-3-carboxylate hydrochloride100202-39-932 % 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 Thiomorpholine 1,1-dioxide hydrochloride59801-62-6

Elsewhere

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