1-Azabicyclo[2.2.2]oct-3-yl methanesulfonate

HCID 416494
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Basic information

Standard SMILES
CS(=O)(=O)OC1CN2CCC1CC2
InChIKey
QVEMSVFKCNTWFF-UHFFFAOYSA-N
Molecular formula
C8H15NO3S
Average molar mass
205.28 g/mol

Names & identifiers

Preferred name
1-Azabicyclo[2.2.2]oct-3-yl methanesulfonate
IUPAC
1-azabicyclo[2.2.2]octan-3-yl methanesulfonate

Names & synonyms

127424-06-01-azabicyclo[2.2.2]oct-3-yl methanesulfonateQuinuclidin-3-yl methanesulfonate1-azabicyclo[2.2.2]octan-3-yl methanesulfonateNSC79422starbld00333723-methanesulfonyloxyquinuclidineSCHEMBL2342824Quinuclidin-3-ylMethanesulfonateCHEMBL2009729QVEMSVFKCNTWFF-UHFFFAOYSA-NNCI60_041749
Show more names
AE-641/00584018(+/-) 3-Methanesulphonyloxy-1-azabicyclo[2.2.2]octane

Database identifiers

PubChem CID
416494
ChEMBL
CHEMBL2009729

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
55 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
13

Related reactions

6 records
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Compound notes

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