A1BFU
1-(3-methoxyazetidine-1-sulfonyl)pyrrolidine
Created: | 2024-11-04 |
Last modified: | 2024-11-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 30 |
Chiral Atom Count | 0 |
Bond Count | 31 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 1-(3-methoxyazetidine-1-sulfonyl)pyrrolidine |
Systematic Name (OpenEye OEToolkits) | 1-(3-methoxyazetidin-1-yl)sulfonylpyrrolidine |
Formula | C8 H16 N2 O3 S |
Molecular Weight | 220.289 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 14.52 | O=S(=O)(N1CC(OC)C1)N1CCCC1 |
SMILES | CACTVS | 3.385 | COC1CN(C1)[S](=O)(=O)N2CCCC2 |
SMILES | OpenEye OEToolkits | 3.1.0.0 | COC1CN(C1)S(=O)(=O)N2CCCC2 |
Canonical SMILES | CACTVS | 3.385 | COC1CN(C1)[S](=O)(=O)N2CCCC2 |
Canonical SMILES | OpenEye OEToolkits | 3.1.0.0 | COC1CN(C1)S(=O)(=O)N2CCCC2 |
InChI | InChI | 1.06 | InChI=1S/C8H16N2O3S/c1-13-8-6-10(7-8)14(11,12)9-4-2-3-5-9/h8H,2-7H2,1H3 |
InChIKey | InChI | 1.06 | KONUKKZPOYOKNK-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 72104848 |