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89636-12-4 | Piperidine, 1-[(methylphenyl)sulfonyl]-2-propyl-, (S)-
CAS No: 89636-12-4 Catalog No: AG003W5D MDL No:
Product Description
Catalog Number:
AG003W5D
Chemical Name:
Piperidine, 1-[(methylphenyl)sulfonyl]-2-propyl-, (S)-
CAS Number:
89636-12-4
Molecular Formula:
C15H23NO2S
Molecular Weight:
281.4136
IUPAC Name:
1-(2-methylphenyl)sulfonyl-2-propylpiperidine
InChI:
InChI=1S/C15H23NO2S/c1-3-8-14-10-6-7-12-16(14)19(17,18)15-11-5-4-9-13(15)2/h4-5,9,11,14H,3,6-8,10,12H2,1-2H3
InChI Key:
SRRMHENRDCIAJR-UHFFFAOYSA-N
SMILES:
CCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.145g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.414g/mol
Monoisotopic Mass:
281.145g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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