Piperidine, 1-[[4-[[4-(2-benzothiazolyl)-1-piperidinyl]sulfonyl]phenyl]sulfonyl]-3,5-dimethyl-
Basic information
- CAS
606083-03-8- Standard SMILES
CC1CC(C)CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCC(c4nc5ccccc5s4)CC3)cc2)C1- InChIKey
QLRGLLUBFXJEEQ-UHFFFAOYSA-N- Molecular formula
- C25H31N3O4S3
- Average molar mass
- 533.7 g/mol
Names & identifiers
- Preferred name
- Piperidine, 1-[[4-[[4-(2-benzothiazolyl)-1-piperidinyl]sulfonyl]phenyl]sulfonyl]-3,5-dimethyl-
- IUPAC
- 2-[1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidin-4-yl]-1,3-benzothiazole
- English name
- Piperidine, 1-[[4-[[4-(2-benzothiazolyl)-1-piperidinyl]sulfonyl]phenyl]sulfonyl]-3,5-dimethyl- (9CI)
- Molecular formula
- C25H31N3O4S3
- Molecular weight
- 533.73
Names & synonyms
AKOS000753326AKOS024318425AKOS030481332DB-277863606083-03-8PIPERIDINE, 1-[[4-[[4-(2-BENZOTHIAZOLYL)-1-PIPERIDINYL]SULFONYL]PHENYL]SULFONYL]-3,5-DIMETHYL-Benzothiazole, 2-[1-[[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]sulfonyl]-4-piperidinyl]-Piperidine, 1-[[4-[[4-(2-benzothiazolyl)-1-piperidinyl]sulfonyl]phenyl]sulfonyl]-3,5-dimethyl- (9CI)
Database identifiers
- CAS
606083-03-8
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 922
Physicochemical properties
- Boiling point
- 686 · 686.0±65.0 °C(Predicted)
- Density
- 1.33 · 1.330±0.06 g/cm3(Predicted)
- pka
- 1.35 · 1.35±0.10(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…