s-Propyl cysteine sulfoxide
PubChem CID: 129704175
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| Compound Synonyms | s-propyl cysteine sulfoxide |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 89.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Dipeptides |
| Deep Smiles | CCCS=O)OC=O)CCS))N |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 174.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | propylsulfinyl 2-amino-3-sulfanylpropanoate |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -0.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H13NO3S2 |
| Inchi Key | YDSATIYWJAEGQV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | s-propyl-cysteine sulfoxide |
| Esol Class | Very soluble |
| Functional Groups | CC(=O)OS(C)=O, CN, CS |
| Compound Name | s-Propyl cysteine sulfoxide |
| Exact Mass | 211.034 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 211.034 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 211.3 |
| 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/C6H13NO3S2/c1-2-3-12(9)10-6(8)5(7)4-11/h5,11H,2-4,7H2,1H3 |
| Smiles | CCCS(=O)OC(=O)C(CS)N |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Small peptides |
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