2-[(4-Methylbenzene-1-sulfonyl)amino]-5-(morpholin-4-yl)-5-oxopentanoic acid
Basic information
- CAS
6635-97-8- Standard SMILES
Cc1ccc(S(=O)(=O)NC(CCC(=O)N2CCOCC2)C(=O)O)cc1- InChIKey
CPGCGWWCQHOSAC-UHFFFAOYSA-N- Molecular formula
- C16H22N2O6S
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.1198576
Names & identifiers
- Preferred name
- 2-[(4-Methylbenzene-1-sulfonyl)amino]-5-(morpholin-4-yl)-5-oxopentanoic acid
- IUPAC
- 2-[(4-methylphenyl)sulfonylamino]-5-morpholin-4-yl-5-oxopentanoic acid
Names & synonyms
6635-97-8NSC52465DTXSID60287779NSC-524652-[(4-Methylbenzene-1-sulfonyl)amino]-5-(morpholin-4-yl)-5-oxopentanoic acidDS-0006752-(4-Methylbenzene-1-sulfonamido)-5-(morpholin-4-yl)-5-oxopentanoic acid2-[(4-methylphenyl)sulfonylamino]-5-morpholin-4-yl-5-oxo-pentanoic acid
Database identifiers
- CAS
6635-97-8- PubChem CID
- 243177
- DTXSID
DTXSID60287779
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 560
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Compound notes
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