(2S, 4S)-2-(N,N-Dimethylcarbamoyl)-4-(4-methoxybenzylthio)-1-methylpyrrolidine

HCID 57114883
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Basic information

Standard SMILES
COc1ccc(CS[C@H]2C[C@@H](C(=O)N(C)C)N(C)C2)cc1
InChIKey
QWFPAONQUYCWAK-GJZGRUSLSA-N
Molecular formula
C16H24N2O2S
Average molar mass
308.4 g/mol

Names & identifiers

Preferred name
(2S, 4S)-2-(N,N-Dimethylcarbamoyl)-4-(4-methoxybenzylthio)-1-methylpyrrolidine
IUPAC
(2S,4S)-4-[(4-methoxyphenyl)methylsulfanyl]-N,N,1-trimethylpyrrolidine-2-carboxamide

Names & synonyms

QWFPAONQUYCWAK-GJZGRUSLSA-N(2S, 4S)-2-(N,N-Dimethylcarbamoyl)-4-(4-methoxybenzylthio)-1-methylpyrrolidine

Database identifiers

PubChem CID
57114883

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
58.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
21

Related reactions

3 records
New reaction record

Linked notes

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