Basic information
- CAS
70027-72-4- Standard SMILES
CN1CCC2=C(C1)C(N1CCCC1)CS(=O)(=O)O2- InChIKey
OFCJTGQIOOZJKV-UHFFFAOYSA-N- Molecular formula
- C12H20N2O3S
- Average molar mass
- 272.37 g/mol
- Monoisotopic mass
- 272.11946368
Names & identifiers
- Preferred name
- 6-methyl-4-pyrrolidin-1-yl-4,5,7,8-tetrahydro-3H-oxathiino[5,6-c]pyridine 2,2-dioxide
- IUPAC
- 6-methyl-4-pyrrolidin-1-yl-4,5,7,8-tetrahydro-3H-oxathiino[5,6-c]pyridine 2,2-dioxide
Names & synonyms
70027-72-4NSC3123316-methyl-4-pyrrolidin-1-yl-4,5,7,8-tetrahydro-3H-oxathiino[5,6-c]pyridine 2,2-dioxideDTXSID90317179NSC-3123316-Methyl-4-(pyrrolidin-1-yl)-3,4,5,6,7,8-hexahydro-2H-2lambda~6~-[1,2]oxathiino[5,6-c]pyridine-2,2-dione
Database identifiers
- CAS
70027-72-4- PubChem CID
- 329451
- DTXSID
DTXSID90317179
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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