Diethyl [(3-chloropropane-1-sulfonyl)amino]propanedioate
Basic information
- CAS
753489-98-4- Standard SMILES
CCOC(=O)C(NS(=O)(=O)CCCCl)C(=O)OCC- InChIKey
CYMCEHZISXSDFC-UHFFFAOYSA-N- Molecular formula
- C10H18ClNO6S
- Average molar mass
- 315.77 g/mol
- Monoisotopic mass
- 315.0543362
Names & identifiers
- Preferred name
- Diethyl [(3-chloropropane-1-sulfonyl)amino]propanedioate
- IUPAC
- diethyl 2-(3-chloropropylsulfonylamino)propanedioate
Names & synonyms
753489-98-4SCHEMBL3427080Diethyl [(3-chloropropane-1-sulfonyl)amino]propanedioateDTXSID10610593Diethyl (3-chloropropane-1-sulfonamido)propanedioate
Database identifiers
- CAS
753489-98-4- PubChem CID
- 21079550
- DTXSID
DTXSID10610593
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 373
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Related reactions
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Compound notes
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