N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-2,2-dithien-2-ylacetamide

HCID 9996901
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Basic information

Standard SMILES
O=C(N[C@H]1CN2CCC1CC2)C(c1cccs1)c1cccs1
InChIKey
MDSAFGBQDVEKGD-ZDUSSCGKSA-N
Molecular formula
C17H20N2OS2
Average molar mass
332.5 g/mol

Names & identifiers

Preferred name
N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-2,2-dithien-2-ylacetamide
IUPAC
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2,2-dithiophen-2-ylacetamide

Names & synonyms

CHEMBL3401642SCHEMBL2818959MDSAFGBQDVEKGD-ZDUSSCGKSA-NBDBM50066867N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-2,2-dithien-2-ylacetamide

Database identifiers

PubChem CID
9996901
ChEMBL
CHEMBL3401642

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
88.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
22

Related reactions

2 records
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Compound notes

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