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A1B3T

Summary
Name:2-(methylsulfanyl)phenyl (3S)-3-carbamoylpiperidine-1-carboxylate
Formula:C14 H18 N2 O3 S
Formal charge:0
Formula weight:294.369 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.522-(methylsulfanyl)phenyl (3S)-3-carbamoylpiperidine-1-carboxylate
OpenEye OEToolkits3.1.0.0(2-methylsulfanylphenyl) (3~{S})-3-aminocarbonylpiperidine-1-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NC(=O)C1CCCN(C1)C(=O)Oc1ccccc1SC
InChIInChI1.06InChI=1S/C14H18N2O3S/c1-20-12-7-3-2-6-11(12)19-14(18)16-8-4-5-10(9-16)13(15)17/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,15,17)/t10-/m0/s1
InChIKeyInChI1.06JNANTPWUFNHSLU-JTQLQIEISA-N
SMILES_CANONICALCACTVS3.385CSc1ccccc1OC(=O)N2CCC[C@@H](C2)C(N)=O
SMILESCACTVS3.385CSc1ccccc1OC(=O)N2CCC[CH](C2)C(N)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CSc1ccccc1OC(=O)N2CCC[C@@H](C2)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0CSc1ccccc1OC(=O)N2CCCC(C2)C(=O)N

251174

PDB entries from 2026-03-25

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