6-(Methyl(phenylsulfonyl)amino)hexanoic acid
PubChem CID: 117892
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| Compound Synonyms | 46948-72-5, 6-[methyl(phenylsulfonyl)amino]hexanoic acid, Hexanoic acid, 6-[methyl(phenylsulfonyl)amino]-, 6-[METHYL(PHENYLSULFONYL)AMINO]HEXANOICACID, 6-[benzenesulfonyl(methyl)amino]hexanoic acid, 6-[Methyl(phenylsulphonyl)amino]hexanoic acid, MF493NK8GC, HOSTACOR H, 6-(Methyl(phenylsulphonyl)amino)hexanoic acid, EINECS 256-289-0, Hexanoic acid, 6-(methyl(phenylsulfonyl)amino)-, 6-(Methyl(phenylsulfonyl)amino)hexanoic acid, DTXSID1068487, 6-(Benzenesulfonyl-methyl-amino)-hexanoic acid, EC 256-289-0, 6-(N-Methylphenylsulfonamido)hexanoic acid, HEXANOIC ACID, 6-(METHYL(PHENYLSULPHONYL)AMINO)-, UNII-MF493NK8GC, SCHEMBL600069, DTXCID7040522, ASJPRZHJNRBKTI-UHFFFAOYSA-N, AKOS024257961, DB-242686, NS00003029, 6-[methyl(phenylsulfonyl)-amino]hexanoic acid, Hexanoic acid, 6-methyl(phenylsulfonyl)amino-, G67679, 6-(N-METHYLBENZENESULFONAMIDO)HEXANOIC ACID, A1-01882, 256-289-0 |
|---|---|
| Topological Polar Surface Area | 83.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 369.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-[benzenesulfonyl(methyl)amino]hexanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C13H19NO4S |
| Prediction Swissadme | 1.0 |
| Inchi Key | ASJPRZHJNRBKTI-UHFFFAOYSA-N |
| Fcsp3 | 0.4615384615384615 |
| Logs | -2.134 |
| Rotatable Bond Count | 8.0 |
| Logd | 0.979 |
| Compound Name | 6-(Methyl(phenylsulfonyl)amino)hexanoic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 285.103 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 285.103 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 285.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3481472105263155 |
| Inchi | InChI=1S/C13H19NO4S/c1-14(11-7-3-6-10-13(15)16)19(17,18)12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,15,16) |
| Smiles | CN(CCCCCC(=O)O)S(=O)(=O)C1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Oplopanax Elatus (Plant) Rel Props:Source_db:cmaup_ingredients