Basic information
- CAS
6290-91-1- Standard SMILES
CC1=C(N2CCCCC2)S(=O)(=O)c2ccccc2C1- InChIKey
RMIMIELUNNTJAT-UHFFFAOYSA-N- Molecular formula
- C15H19NO2S
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.11365002
Names & identifiers
- Preferred name
- 3-methyl-2-piperidin-1-yl-4H-thiochromene 1,1-dioxide
- IUPAC
- 3-methyl-2-piperidin-1-yl-4H-thiochromene 1,1-dioxide
Names & synonyms
6290-91-1NSC2926DTXSID30978682NSC-29263-Methyl-2-(piperidin-1-yl)-1-benzothiopyran-1,1(4H)-dione1-(3-METHYL-4H-1-BENZOTHIOPYRAN-2-YL)PIPERIDINE,S-DIOXIDE3-Methyl-2-(piperidin-1-yl)-1lambda~6~-benzothiopyran-1,1(4H)-dione
Database identifiers
- CAS
6290-91-1- PubChem CID
- 220321
- DTXSID
DTXSID30978682
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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