2-(Dimethylamino)ethanesulfonic acid
PubChem CID: 237042
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| Compound Synonyms | 2-(Dimethylamino)ethanesulfonic acid, 637-95-6, n,n-dimethyltaurine, 2-(dimethylamino)ethane-1-sulfonic acid, NSC 40252, DTXSID10213104, 246F27G7TG, NSC40252, NSC-40252, MFCD22495171, Taurine, N,N-dimethyl-, UNII-246F27G7TG, 2-(dimethylamino)ethanesulfonate, 2-(Dimethylamino)ethanesulphonate, DTXCID70135595, 2-(Dimethylamino)ethanesulfonicacid, AAA63795, 2-(Dimethylamino)ethane-1-sulfonate, 2-(Dimethylamino)ethane-1-sulphonate, 2-(Dimethylamino)ethanesulphonic acid, AKOS027425168, AB76836, Ethanesulfonic acid, 2-(dimethylamino)-, 2-(Dimethylamino)ethane-1-sulphonic acid, NS-01183, EN300-302533, Q27458028, ASZ |
|---|---|
| Topological Polar Surface Area | 66.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 155.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(dimethylamino)ethanesulfonic acid |
| Prediction Hob | 1.0 |
| Xlogp | -3.1 |
| Molecular Formula | C4H11NO3S |
| Prediction Swissadme | 0.0 |
| Inchi Key | CFAFEJHONLMPQY-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.049 |
| Rotatable Bond Count | 3.0 |
| Logd | -1.9 |
| Compound Name | 2-(Dimethylamino)ethanesulfonic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 153.046 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 153.046 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 153.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.3800413999999999 |
| Inchi | InChI=1S/C4H11NO3S/c1-5(2)3-4-9(6,7)8/h3-4H2,1-2H3,(H,6,7,8) |
| Smiles | CN(C)CCS(=O)(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sophora Japonica (Plant) Rel Props:Source_db:cmaup_ingredients