1-(Morpholin-4-ylsulfonyl)piperidine-4-carboxylic acid
Basic information
- CAS
897766-44-8- Standard SMILES
O=C(O)C1CCN(S(=O)(=O)N2CCOCC2)CC1- InChIKey
LGXOWZOKHYBFFZ-UHFFFAOYSA-N- Molecular formula
- C10H18N2O5S
- Average molar mass
- 278.33 g/mol
- Monoisotopic mass
- 278.09364285
Names & identifiers
- Preferred name
- 1-(Morpholin-4-ylsulfonyl)piperidine-4-carboxylic acid
- IUPAC
- 1-morpholin-4-ylsulfonylpiperidine-4-carboxylic acid
- English name
- 1-(morpholin-4-ylsulfonyl)piperidine-4-carboxylic acid
- Molecular formula
- C10H18N2O5S
- Molecular weight
- 278.33
Names & synonyms
897766-44-81-(morpholin-4-ylsulfonyl)piperidine-4-carboxylic acid1-(Morpholinosulfonyl)piperidine-4-carboxylic acid1-(morpholine-4-sulfonyl)piperidine-4-carboxylic acid1-morpholin-4-ylsulfonylpiperidine-4-carboxylic acidMFCD03830247MLS000095970ChemDiv2_003032SCHEMBL3183107CHEMBL1483962DTXSID30390527LGXOWZOKHYBFFZ-UHFFFAOYSA-N
Show more names
EU-00298601-morpholinosulfonylisonipecotic acid1-morpholinosulfonylpiperidine-4-carboxylic acid1-morpholinosulfonyl-4-piperidinecarboxylic acid4-Piperidinecarboxylic acid, 1-(4-morpholinylsulfonyl)-1-(morpholin-4-ylsulfonyl)piperidine-4-carboxylic acid(SALTDATA: FREE)
HMS1377J18HMS2459E23ALBB-006458AKOS000265816CCG-200184LS-02273SMR000031518CS-0213101
Database identifiers
- CAS
897766-44-8- PubChem CID
- 3239773
- DTXSID
DTXSID30390527- ChEMBL
CHEMBL1483962
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 391
Physicochemical properties
- Boiling point
- 496.8 · 496.8±45.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 4.42 · 4.42±0.20(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Suppliers
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Related reactions
2 records
Compound notes
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