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- ChemComp-W1A: N-[(piperidin-4-yl)methyl]methanesulfonamide -

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Basic information

EntryDatabase: PDB chemical components / ID: W1A
NameName: N-[(piperidin-4-yl)methyl]methanesulfonamide

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Chemical information

Composition
Formula: C7H16N2O2S / Number of atoms: 28 / Formula weight: 192.279 / Formal charge: 0
Others

5rqy
PDB Unreleased entry

Type: non-polymer / PDB classification: HETAIN / Three letter code: W1A / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RQY
History
Create componentSep 24, 2020
Initial releaseJan 13, 2021
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 12.01N1CCC(CC1)CNS(=O)(=O)C
CACTVS 3.385C[S](=O)(=O)NCC1CCNCC1
OpenEye OEToolkits 2.0.7CS(=O)(=O)NCC1CCNCC1

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SMILES CANONICAL

CACTVS 3.385C[S](=O)(=O)NCC1CCNCC1
OpenEye OEToolkits 2.0.7CS(=O)(=O)NCC1CCNCC1

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InChI

InChI 1.03InChI=1S/C7H16N2O2S/c1-12(10,11)9-6-7-2-4-8-5-3-7/h7-9H,2-6H2,1H3

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InChIKey

InChI 1.03LULUGSQUPICPQM-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-[(piperidin-4-yl)methyl]methanesulfonamide
OpenEye OEToolkits 2.0.7~{N}-(piperidin-4-ylmethyl)methanesulfonamide

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PDB entries

Showing all 3 items

PDB-5s3b:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1741966151

PDB-7hhg:
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1741966151

PDB-7hmu:
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1741966151

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