2-Azabicyclo[3.1.0]hexane-3-carboxamide, (1S,3S,5S)-, methanesulfonate (1:1)

C₇H₁₄N₂O₄SCAS 709031-45-8222.26 g/mol

Open in Covalent MOL file

Secondary amine Sulfonic acid

Properties

Molecular formula: C₇H₁₄N₂O₄S
Molar mass: 222.26 g/mol
Exact mass: 222.0674 Da
logP: -0.22Crippen estimate
Polar surface area: 110.5 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 1
Stereocentres: S, S, Sin SMILES atom order

Identifiers

CAS number

709031-45-8

SMILES

CS(=O)(=O)O.N=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1

InChIKey

WPIYZQBALIBMAA-SHLRHQAISA-N

InChI

InChI=1S/C6H10N2O.CH4O3S/c7-6(9)5-2-3-1-4(3)8-5;1-5(2,3)4/h3-5,8H,1-2H2,(H2,7,9);1H3,(H,2,3,4)/t3-,4-,5-;/m0./s1

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Names and synonyms

1 names

2-Azabicyclo[3.1.0]hexane-3-carboxamide, (1S,3S,5S)-, monomethanesulfonate

Work with 2-Azabicyclo[3.1.0]hexane-3-carboxamide, (1S,3S,5S)-, methanesulfonate (1:1)

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

Methanesulfonic acid75-75-235 % similar Safinamide mesylate202825-46-532 % similar (2R)-2-Pyrrolidinecarboxamide62937-45-530 % similar L-Prolinamide7531-52-430 % similar

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

Elsewhere

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