1-Benzoyl-trans-3-amino-4-methylthio-pyrrolidine

HCID 70282017
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Basic information

Standard SMILES
CS[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1N
InChIKey
VUQPEHSHNVCBIB-GHMZBOCLSA-N
Molecular formula
C12H16N2OS
Average molar mass
236.34 g/mol

Names & identifiers

Preferred name
1-Benzoyl-trans-3-amino-4-methylthio-pyrrolidine
IUPAC
[(3R,4R)-3-amino-4-methylsulfanylpyrrolidin-1-yl]-phenylmethanone

Names & synonyms

SCHEMBL8126661VUQPEHSHNVCBIB-GHMZBOCLSA-N1-Benzoyl-trans-3-amino-4-methylthio-pyrrolidine

Database identifiers

PubChem CID
70282017

Properties

Computed structural properties

XLogP
1
Topological polar surface area
71.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
16

Related reactions

3 records
New reaction record

Linked notes

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