| Canonical Smiles | C1COCCN1CC2=CC=C(S2)C=O |
|---|---|
| IUPAC Name | 5-(morpholin-4-ylmethyl)thiophene-2-carbaldehyde |
| InChIKey | YPXGCMYNDMFOHE-UHFFFAOYSA-N |
| INCHI | 1S/C10H13NO2S/c12-8-10-2-1-9(14-10)7-11-3-5-13-6-4-11/h1-2,8H,3-7H2 |
| Isomeric SMILES | C1COCCN1CC2=CC=C(S2)C=O |
| PubChem CID | 20098933 |
| Molecular Weight | 211.28 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aralkylamines |
| Alternative Parents | Aryl-aldehydes 2,5-disubstituted thiophenes Morpholines Heteroaromatic compounds Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aralkylamine - Aryl-aldehyde - 2,5-disubstituted thiophene - Morpholine - Oxazinane - Heteroaromatic compound - Thiophene - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aldehyde - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group. |
| External Descriptors | Not available |
| Molecular Weight | 211.280 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 211.067 Da |
| Monoisotopic Mass | 211.067 Da |
| Topological Polar Surface Area | 57.800 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 195.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
