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
SOOHOH2NOHN
Secondary amineSulfonic 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 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
1
Stereocentres
S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Methanesulfonic acid75-75-2Free acid Dihydroergotamine mesylate6190-39-2Salt Doxazosin mesylate77883-43-3Salt Deferoxamine mesylate138-14-7Salt Benztropine mesylate132-17-2Salt Tricaine methanesulfonate886-86-2Salt Bromocriptine mesylate22260-51-1Salt Almitrine bismesylate29608-49-9Salt Gabexate mesilate56974-61-9Salt Imatinib mesylate220127-57-1Salt Phentolamine methanesulfonate65-28-1Salt Nafamostat mesylate82956-11-4Salt

Similar compounds

(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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