(2S)-2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one
PubChem CID: 73416012
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 57.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 244.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C12H17NOS |
| Prediction Swissadme | 1.0 |
| Inchi Key | QAXBVGVYDCAVLV-LBPRGKRZSA-N |
| Fcsp3 | 0.5833333333333334 |
| Logs | -1.413 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.621 |
| Compound Name | (2S)-2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 223.103 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 223.103 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 223.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5459808666666666 |
| Inchi | InChI=1S/C12H17NOS/c1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14/h5,7,9,13H,2-4,6,8H2,1H3/t12-/m0/s1 |
| Smiles | CCN[C@]1(CCCCC1=O)C2=CC=CS2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anemarrhena Asphodeloides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Euphorbia Royleana (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Strychnos Froesii (Plant) Rel Props:Source_db:cmaup_ingredients