9-(Methylsulfonyl)nonylamine
PubChem CID: 101417644
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| Compound Synonyms | 9-(Methylsulfonyl)nonylamine |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 68.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | NCCCCCCCCCS=O)=O)C |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Sulfonyls |
| Classyfire Subclass | Sulfones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 207.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-methylsulfonylnonan-1-amine |
| Veber Rule | True |
| Classyfire Superclass | Organosulfur compounds |
| Xlogp | 1.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H23NO2S |
| Inchi Key | KPWVOGVVWHEBEG-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | 9-(methylsulfonyl)nonylamine |
| Esol Class | Very soluble |
| Functional Groups | CN, CS(C)(=O)=O |
| Compound Name | 9-(Methylsulfonyl)nonylamine |
| Exact Mass | 221.145 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 221.145 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 221.36 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H23NO2S/c1-14(12,13)10-8-6-4-2-3-5-7-9-11/h2-11H2,1H3 |
| Smiles | CS(=O)(=O)CCCCCCCCCN |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Rorippa Indica (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729