(2S, 4S)-2-Carbamoyl-1-ethyl-4-(4-methoxybenzylthio)pyrrolidine

HCID 14796650

Basic information

Standard SMILES
CCN1C[C@@H](SCc2ccc(OC)cc2)C[C@H]1C(N)=O
InChIKey
IWJUJPCJACTCCT-KBPBESRZSA-N
Molecular formula
C15H22N2O2S
Average molar mass
294.4 g/mol

Names & identifiers

Preferred name
(2S, 4S)-2-Carbamoyl-1-ethyl-4-(4-methoxybenzylthio)pyrrolidine
IUPAC
(2S,4S)-1-ethyl-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-2-carboxamide

Names & synonyms

IWJUJPCJACTCCT-KBPBESRZSA-N(2S, 4S)-2-Carbamoyl-1-ethyl-4-(4-methoxybenzylthio)pyrrolidine(2S, 4S)-2-carbamoyl-4-(4-methoxybenzylthio)-1-ethylpyrrolidine

Database identifiers

PubChem CID
14796650

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
80.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
20

Related reactions

4 records

Linked notes

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