8-(Methylsulfinyl)octylamine
PubChem CID: 121232648
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| Compound Synonyms | 8-(methylsulfinyl)octylamine, 8-MeSO-octyl-NH2, 8-methylsulfinyloctylamine, 8-methylsulfinyloctyl amine, 8-methanesulfinyloctan-1-amine, SCHEMBL23607789, CHEBI:91158, 8-(methanesulfinyl)octan-1-amine, 8-(methylsulfinyl)-1-aminooctane, Q27163094 |
|---|---|
| Topological Polar Surface Area | 62.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 117.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-methylsulfinyloctan-1-amine |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Is Pains | False |
| Molecular Formula | C9H21NOS |
| Prediction Swissadme | 0.0 |
| Inchi Key | SSWZIHDEYOORCA-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 8.0 |
| Compound Name | 8-(Methylsulfinyl)octylamine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 191.134 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 191.134 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 191.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.0590079999999995 |
| Inchi | InChI=1S/C9H21NOS/c1-12(11)9-7-5-3-2-4-6-8-10/h2-10H2,1H3 |
| Smiles | CS(=O)CCCCCCCCN |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arabidopsis Thaliana (Plant) Rel Props:Source_db:cmaup_ingredients