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- ChemComp-8BT: N-cyclopentylmethanesulfonamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 8BT
NameName: N-cyclopentylmethanesulfonamide

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Chemical information

Composition
Formula: C6H13NO2S / Number of atoms: 23 / Formula weight: 163.238 / Formal charge: 0
Others

5sbx

Type: non-polymer / PDB classification: HETAIN / Three letter code: 8BT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5SBX
History
Create componentSep 14, 2021
Initial releaseSep 22, 2021
External linksUniChem / ChemSpider / CompTox / 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)(C)NC1CCCC1
CACTVS 3.385C[S](=O)(=O)NC1CCCC1
OpenEye OEToolkits 2.0.7CS(=O)(=O)NC1CCCC1

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SMILES CANONICAL

CACTVS 3.385C[S](=O)(=O)NC1CCCC1
OpenEye OEToolkits 2.0.7CS(=O)(=O)NC1CCCC1

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InChI

InChI 1.03InChI=1S/C6H13NO2S/c1-10(8,9)7-6-4-2-3-5-6/h6-7H,2-5H2,1H3

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InChIKey

InChI 1.03IJXUJLYIQLLJEP-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-cyclopentylmethanesulfonamide
OpenEye OEToolkits 2.0.7~{N}-cyclopentylmethanesulfonamide

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PDB entries

Showing all 3 items

PDB-5sbx:
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z53825479

PDB-7hkd:
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 Z53825479 (DNV2_NS5A-x0172)

PDB-7htm:
PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z53825479

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