(RS)-2-Phenylsulfanylmethyl-1-aza-bicyclo[2.2.2]octan-3-one

HCID 11379632
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Basic information

Standard SMILES
O=C1C2CCN(CC2)C1CSc1ccccc1
InChIKey
JDTQTRMWTSUNMP-UHFFFAOYSA-N
Molecular formula
C14H17NOS
Average molar mass
247.36 g/mol

Names & identifiers

Preferred name
(RS)-2-Phenylsulfanylmethyl-1-aza-bicyclo[2.2.2]octan-3-one
IUPAC
2-(phenylsulfanylmethyl)-1-azabicyclo[2.2.2]octan-3-one

Names & synonyms

SCHEMBL2965894JDTQTRMWTSUNMP-UHFFFAOYSA-N(RS)-2-Phenylsulfanylmethyl-1-aza-bicyclo[2.2.2]octan-3-one

Database identifiers

PubChem CID
11379632

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
45.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
17

Related reactions

2 records
New reaction record

Linked notes

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