| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:38 UTC |
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| Update Date | 2025-03-21 18:05:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056532 |
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| Frequency | 56.3 |
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| Structure | |
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| Chemical Formula | C14H22N2OS |
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| Molecular Mass | 266.1453 |
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| SMILES | CC(=O)NCCSCc1ccc(CN(C)C)cc1 |
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| InChI Key | DGTXNUHRPCGOLO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylmethylamines |
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| Direct Parent | phenylmethylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesamino acids and derivativesaralkylaminesbenzylaminescarbonyl compoundscarboxylic acids and derivativesdialkylthioethershydrocarbon derivativesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundstrialkylamines |
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| Substituents | carbonyl groupamino acid or derivativesorganosulfur compoundcarboxylic acid derivativearalkylamineorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary amineacetamidesulfenyl compounddialkylthioethertertiary aliphatic aminecarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidephenylmethylamineorganic oxygen compoundbenzylaminethioetherhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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