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- ChemComp-LPU: 1-(methanesulfonyl)piperidin-4-ol -

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Basic information

EntryDatabase: PDB chemical components / ID: LPU
NameName: 1-(methanesulfonyl)piperidin-4-ol

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Chemical information

Composition
Formula: C6H13NO3S / Number of atoms: 24 / Formula weight: 179.237 / Formal charge: 0
Others

5sm7

Type: non-polymer / PDB classification: HETAIN / Three letter code: LPU / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5SM7
History
Create componentMar 4, 2022
Initial releaseMar 16, 2022
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01OC1CCN(CC1)S(=O)(C)=O
CACTVS 3.385C[S](=O)(=O)N1CCC(O)CC1
OpenEye OEToolkits 2.0.7CS(=O)(=O)N1CCC(CC1)O

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SMILES CANONICAL

CACTVS 3.385C[S](=O)(=O)N1CCC(O)CC1
OpenEye OEToolkits 2.0.7CS(=O)(=O)N1CCC(CC1)O

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InChI

InChI 1.03InChI=1S/C6H13NO3S/c1-11(9,10)7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3

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InChIKey

InChI 1.03UPEFDWJLNXWMOW-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011-(methanesulfonyl)piperidin-4-ol
OpenEye OEToolkits 2.0.71-methylsulfonylpiperidin-4-ol

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PDB entries

Showing all 4 items

PDB-5sm7:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1247413608

PDB-7gp2:
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z425757818

PDB-7h2y:
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z425757818 (A71EV2A-x0228)

PDB-7hhk:
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1247413608

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