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CHEBI:233627 - N-{4-[(2S)-2-(methylamino)propyl]phenyl}-6-sulfanylhexanamide

ChEBI IDCHEBI:233627
ChEBI NameN-{4-[(2S)-2-(methylamino)propyl]phenyl}-6-sulfanylhexanamide
Stars
ASCII NameN-{4-[(2S)-2-(methylamino)propyl]phenyl}-6-sulfanylhexanamide
DefinitionA secondary carboxamide resulting from the formal condensation of the carboxy group of 6-sulfanylhexanoic acid with the primary amino group of 4-[(2S)-2-(methylamino)propyl]aniline.
Last Modified6 March 2025
SubmitterAdnan
DownloadsMolfile
FormulaC16H26N2OS
Net Charge0
Average Mass294.464
Monoisotopic Mass294.17658
SMILESCN[C@@H](C)Cc1ccc(NC(=O)CCCCCS)cc1
InChIInChI=1S/C16H26N2OS/c1-13(17-2)12-14-7-9-15(10-8-14)18-16(19)6-4-3-5-11-20/h7-10,13,17,20H,3-6,11-12H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyPZAHLKRSTAOQKY-ZDUSSCGKSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
ChEBI Ontology
Outgoing Relation(s)
N-{4-[(2S)-2-(methylamino)propyl]phenyl}-6-sulfanylhexanamide (CHEBI:233627) has role hapten (CHEBI:59174)
N-{4-[(2S)-2-(methylamino)propyl]phenyl}-6-sulfanylhexanamide (CHEBI:233627) is a aromatic amide (CHEBI:62733)
N-{4-[(2S)-2-(methylamino)propyl]phenyl}-6-sulfanylhexanamide (CHEBI:233627) is a benzenes (CHEBI:22712)
N-{4-[(2S)-2-(methylamino)propyl]phenyl}-6-sulfanylhexanamide (CHEBI:233627) is a secondary amino compound (CHEBI:50995)
N-{4-[(2S)-2-(methylamino)propyl]phenyl}-6-sulfanylhexanamide (CHEBI:233627) is a secondary carboxamide (CHEBI:140325)
N-{4-[(2S)-2-(methylamino)propyl]phenyl}-6-sulfanylhexanamide (CHEBI:233627) is a thiol (CHEBI:29256)
IUPAC Name 
N-{4-[(2S)-2-(methylamino)propyl]phenyl}-6-sulfanylhexanamide
Synonym  Source
MH7ChEBI
Citations