Basic information
- CAS
133034-02-3- Standard SMILES
Cc1ccc(S(=O)(=O)O[C@@H]2CCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1- InChIKey
YLPLVVAXXZWTIR-MRXNPFEDSA-N- Molecular formula
- C18H21NO5S2
- Average molar mass
- 395.5 g/mol
- Monoisotopic mass
- 395.08611512
Names & identifiers
- Preferred name
- (R)-1-Tosylpyrrolidin-3-yl 4-methylbenzenesulfonate
- IUPAC
- [(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl] 4-methylbenzenesulfonate
Names & synonyms
133034-02-3(R)-1-Tosylpyrrolidin-3-yl 4-methylbenzenesulfonateSCHEMBL6863028DTXSID6011316123-Pyrrolidinol, 1-[(4-methylphenyl)sulfonyl]-, 3-(4-methylbenzenesulfonate), (3R)-(3R)-1-(4-Methylbenzene-1-sulfonyl)pyrrolidin-3-yl 4-methylbenzene-1-sulfonate
Database identifiers
- CAS
133034-02-3- PubChem CID
- 10692091
- DTXSID
DTXSID601131612- Nikkaji
- J3.754.150H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 97.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 663
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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