2-[(2-Methylpropan-2-yl)oxycarbonylamino]propyl 4-methylbenzenesulfonate
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Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OCC(C)NC(=O)OC(C)(C)C)cc1- InChIKey
KLEPSZKPAIHWIS-UHFFFAOYSA-N- Molecular formula
- C15H23NO5S
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.12969401
Names & identifiers
- Preferred name
- 2-[(2-Methylpropan-2-yl)oxycarbonylamino]propyl 4-methylbenzenesulfonate
- IUPAC
- 2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl 4-methylbenzenesulfonate
Names & synonyms
84765-24-2SCHEMBL2545096SB50618
Database identifiers
- PubChem CID
- 13200310
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 455
Related reactions
1 records
Compound notes
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