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Home > Pyridines > 1422140-37-1
1422140-37-1 | 1-(methylsulfonyl)-3a-phenyloctahydro-1H-pyrrolo[2,3-c]pyridine
CAS No: 1422140-37-1 Catalog No: AG01DIQF MDL No:
Product Description
Catalog Number:
AG01DIQF
Chemical Name:
1-(methylsulfonyl)-3a-phenyloctahydro-1H-pyrrolo[2,3-c]pyridine
CAS Number:
1422140-37-1
Molecular Formula:
C14H20N2O2S
Molecular Weight:
280.3858
IUPAC Name:
1-methylsulfonyl-3a-phenyl-3,4,5,6,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
InChI:
InChI=1S/C14H20N2O2S/c1-19(17,18)16-10-8-14(7-9-15-11-13(14)16)12-5-3-2-4-6-12/h2-6,13,15H,7-11H2,1H3
InChI Key:
QVSSKRKGXGIPSJ-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)N1CCC2(C1CNCC2)c1ccccc1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.125g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.386g/mol
Monoisotopic Mass:
280.125g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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