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- ChemComp-LJR: 1-cyclohexyl-N-methylmethanesulfonamide -

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Basic information

EntryDatabase: PDB chemical components / ID: LJR
NameName: 1-cyclohexyl-N-methylmethanesulfonamide

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Chemical information

Composition
Formula: C8H17NO2S / Number of atoms: 29 / Formula weight: 191.291 / Formal charge: 0
Others

5sla

Type: non-polymer / PDB classification: HETAIN / Three letter code: LJR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5SLA
History
Create componentMar 4, 2022
Initial releaseMar 16, 2022
External linksUniChem / ChemSpider / PubChem / SureChEMBL / ZINC / 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 12.01O=S(=O)(CC1CCCCC1)NC
CACTVS 3.385CN[S](=O)(=O)CC1CCCCC1
OpenEye OEToolkits 2.0.7CNS(=O)(=O)CC1CCCCC1

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SMILES CANONICAL

CACTVS 3.385CN[S](=O)(=O)CC1CCCCC1
OpenEye OEToolkits 2.0.7CNS(=O)(=O)CC1CCCCC1

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InChI

InChI 1.03InChI=1S/C8H17NO2S/c1-9-12(10,11)7-8-5-3-2-4-6-8/h8-9H,2-7H2,1H3

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InChIKey

InChI 1.03PFWYRMPHHJKJBB-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011-cyclohexyl-N-methylmethanesulfonamide
OpenEye OEToolkits 2.0.71-cyclohexyl-~{N}-methyl-methanesulfonamide

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PDB entries

Showing all 3 items

PDB-5sla:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1003207278

PDB-7hh7:
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1003207278

PDB-7hkl:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z818928496 (DNV2_NS5A-x0283)

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