SW9
4-{[(1M)-buta-1,2-dien-1-yl](methyl)amino}-1lambda~6~-thiane-1,1-dione
Created: | 2023-08-28 |
Last modified: | 2023-11-29 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 31 |
Chiral Atom Count | 1 |
Bond Count | 31 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 4-{[(1M)-buta-1,2-dien-1-yl](methyl)amino}-1lambda~6~-thiane-1,1-dione |
Systematic Name (OpenEye OEToolkits) | ~{N}-buta-1,2-dienyl-~{N}-methyl-1,1-bis(oxidanylidene)thian-4-amine |
Formula | C10 H17 N O2 S |
Molecular Weight | 215.312 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S1(=O)CCC(CC1)N(C)\C=C=C\C |
SMILES | CACTVS | 3.385 | C[CH]=[C]=[CH]N(C)C1CC[S](=O)(=O)CC1 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC=C=CN(C)C1CCS(=O)(=O)CC1 |
Canonical SMILES | CACTVS | 3.385 | C[CH]=[C@]=[CH]N(C)C1CC[S](=O)(=O)CC1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CC=C=CN(C)C1CCS(=O)(=O)CC1 |
InChI | InChI | 1.06 | InChI=1S/C10H17NO2S/c1-3-4-7-11(2)10-5-8-14(12,13)9-6-10/h3,7,10H,5-6,8-9H2,1-2H3 |
InChIKey | InChI | 1.06 | IVNADMIGBJJJFW-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 169491020 |