(-)-cis-3,4-Dimethyl-2-phenyltetrahydro-1,4-thiazine
PubChem CID: 559069
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| Compound Synonyms | 3,4-Dimethyl-2-phenylthiomorpholine #, DSXDFPCKHIDOTD-UHFFFAOYSA-N, 3,4-dimethyl-2-phenyltetrahydro-1,4-thiazine, (-)-cis-3,4-Dimethyl-2-phenyltetrahydro-1,4-thiazine |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 28.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(C2CCCCC2)CC1 |
| Np Classifier Class | Piperidine alkaloids |
| Deep Smiles | CCNC)CCSC6cccccc6 |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Thiazinanes |
| Scaffold Graph Node Level | C1CCC(C2CNCCS2)CC1 |
| Classyfire Subclass | Thiomorpholines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 177.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4-dimethyl-2-phenylthiomorpholine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H17NS |
| Scaffold Graph Node Bond Level | c1ccc(C2CNCCS2)cc1 |
| Inchi Key | DSXDFPCKHIDOTD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | (-)-cis-3,4-dimethyl-2-phenyltetrahydro-1,4-thiazine |
| Esol Class | Soluble |
| Functional Groups | CN(C)C, CSC |
| Compound Name | (-)-cis-3,4-Dimethyl-2-phenyltetrahydro-1,4-thiazine |
| Exact Mass | 207.108 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 207.108 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 207.34 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H17NS/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3 |
| Smiles | CC1C(SCCN1C)C2=CC=CC=C2 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Lysine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Alternanthera Sessilis (Plant) Rel Props:Reference:https://doi.org/10.7324/japs.2016.601222