Basic information
- CAS
67658-64-4- Standard SMILES
CN1C[C@H](CNS(=O)(=O)N(C)C)CC2c3cccc4[nH]cc(c34)C[C@H]21- InChIKey
AWCFXRQDDNRJFB-CZZJGDGRSA-N- Molecular formula
- C18H26N4O2S
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.17764726
Names & identifiers
- Preferred name
- Sulfamide, N,N-dimethyl-N'-(((8-beta-6-methylergolin-8-yl)methyl)-
- IUPAC
- (6aR,9R)-9-[(dimethylsulfamoylamino)methyl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Names & synonyms
1,1-Dimethyl-3-(6-methyl-8-beta-ergolenylmethyl)sulfonamide67658-64-4N,N-Dimethyl-N'-(((8-beta)-6-methylergolin-8-yl)methyl)sulfamideSulfamide, N,N-dimethyl-N'-(((8-beta-6-methylergolin-8-yl)methyl)-RefChem:382490DTXSID00987024N,N-Dimethyl-N'-[(6-methylergolin-8-yl)methyl]sulfuric diamideN,N-Dimethyl-N'-{[(10xi)-6-methylergolin-8beta-yl]methyl}sulfuric diamide
Database identifiers
- CAS
67658-64-4- PubChem CID
- 3051692
- DTXSID
DTXSID00987024
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 76.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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