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A1B2W

Summary
Name:(3S)-1-(4-hydroxythiane-4-carbonyl)piperidine-3-carboxamide
Formula:C12 H20 N2 O3 S
Formal charge:0
Formula weight:272.364 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-(4-hydroxythiane-4-carbonyl)piperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-(4-oxidanylthian-4-yl)carbonylpiperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(N1CCCC(C1)C(N)=O)C1(O)CCSCC1
InChIInChI1.06InChI=1S/C12H20N2O3S/c13-10(15)9-2-1-5-14(8-9)11(16)12(17)3-6-18-7-4-12/h9,17H,1-8H2,(H2,13,15)/t9-/m0/s1
InChIKeyInChI1.06JBKFOLYWCBQWFH-VIFPVBQESA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCCN(C1)C(=O)C2(O)CCSCC2
SMILESCACTVS3.385NC(=O)[CH]1CCCN(C1)C(=O)C2(O)CCSCC2
SMILES_CANONICALOpenEye OEToolkits3.1.0.0C1C[C@@H](CN(C1)C(=O)C2(CCSCC2)O)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0C1CC(CN(C1)C(=O)C2(CCSCC2)O)C(=O)N

248636

PDB entries from 2026-02-04

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