1-(Methanesulfinyl)-N,N-dimethylmethanamine
PubChem CID: 22084557
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| Compound Synonyms | 25732-55-2, 1-(Methanesulfinyl)-N,N-dimethylmethanamine, DTXSID20622329 |
|---|---|
| Topological Polar Surface Area | 39.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 72.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N,N-dimethyl-1-methylsulfinylmethanamine |
| Prediction Hob | 1.0 |
| Xlogp | -0.5 |
| Molecular Formula | C4H11NOS |
| Prediction Swissadme | 0.0 |
| Inchi Key | LSFFXMCJKHTWMT-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.028 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.302 |
| Compound Name | 1-(Methanesulfinyl)-N,N-dimethylmethanamine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 121.056 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 121.056 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 121.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.1192709999999999 |
| Inchi | InChI=1S/C4H11NOS/c1-5(2)4-7(3)6/h4H2,1-3H3 |
| Smiles | CN(C)CS(=O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Bupleurum Falcatum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients