Basic information
- CAS
443296-55-7- Standard SMILES
CC1(C)C2CCC1(CS(=O)(=O)N1CCCC1)C(=O)C2- InChIKey
ZMFWRRBSOAHXCC-UHFFFAOYSA-N- Molecular formula
- C14H23NO3S
- Average molar mass
- 285.4 g/mol
Names & identifiers
- Preferred name
- 7,7-Dimethyl-1-[(pyrrolidinylsulfonyl)methyl]bicyclo[2.2.1]heptan-2-one
- IUPAC
- 7,7-dimethyl-1-(pyrrolidin-1-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-one
- English name
- 7,7-dimethyl-1-[(1-pyrrolidinylsulfonyl)methyl]bicyclo[2.2.1]heptan-2-one
- Molecular formula
- C14H23NO3S
- Molecular weight
- 285.4
Names & synonyms
7,7-dimethyl-1-[(pyrrolidinylsulfonyl)methyl]bicyclo[2.2.1]heptan-2-one443296-55-7Oprea1_305718Oprea1_607886SCHEMBL7756182HMS1788M107,7-dimethyl-1-(pyrrolidin-1-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-oneAKOS001064161AKOS016065955ST50072172AF-399/41726089Z89269460
Show more names
Bicyclo[2.2.1]heptan-2-one, 7,7-dimethyl-1-[(1-pyrrolidinylsulfonyl)methyl]-
7,7-dimethyl-1-[(1-pyrrolidinylsulfonyl)methyl]bicyclo[2.2.1]heptan-2-one
Database identifiers
- CAS
443296-55-7
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 499
Physicochemical properties
- Boiling point
- 412.7 · 412.7±37.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- -4.26 · -4.26±0.20(Predicted)
Chemistry & industry
Suppliers2 total
OTAVA-BB[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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