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A1B0P

Summary
Name:[(2R,3R)-1-(methanesulfonyl)-2-methylpiperidin-3-yl](pyrrolidin-1-yl)methanone
Formula:C12 H22 N2 O3 S
Formal charge:0
Formula weight:274.38 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52[(2R,3R)-1-(methanesulfonyl)-2-methylpiperidin-3-yl](pyrrolidin-1-yl)methanone
OpenEye OEToolkits3.1.0.0[(2~{R},3~{R})-2-methyl-1-methylsulfonyl-piperidin-3-yl]-pyrrolidin-1-yl-methanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=S(C)(=O)N1CCCC(C(=O)N2CCCC2)C1C
InChIInChI1.06InChI=1S/C12H22N2O3S/c1-10-11(12(15)13-7-3-4-8-13)6-5-9-14(10)18(2,16)17/h10-11H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyInChI1.06YDPJOGQGKXEOGX-GHMZBOCLSA-N
SMILES_CANONICALCACTVS3.385C[C@@H]1[C@@H](CCCN1[S](C)(=O)=O)C(=O)N2CCCC2
SMILESCACTVS3.385C[CH]1[CH](CCCN1[S](C)(=O)=O)C(=O)N2CCCC2
SMILES_CANONICALOpenEye OEToolkits3.1.0.0C[C@@H]1[C@@H](CCCN1S(=O)(=O)C)C(=O)N2CCCC2
SMILESOpenEye OEToolkits3.1.0.0CC1C(CCCN1S(=O)(=O)C)C(=O)N2CCCC2

251174

PDB entries from 2026-03-25

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