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Home > Other Heterocycles > 1333960-25-0
1333960-25-0 | 2-TOSYL-2,6-DIAZASPIRO[3.3]HEPTANE
CAS No: 1333960-25-0 Catalog No: AG01APMQ MDL No:MFCD18207188
Product Description
Catalog Number:
AG01APMQ
Chemical Name:
2-TOSYL-2,6-DIAZASPIRO[3.3]HEPTANE
CAS Number:
1333960-25-0
Molecular Formula:
C12H16N2O2S
Molecular Weight:
252.3326
MDL Number:
MFCD18207188
IUPAC Name:
2-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
InChI:
InChI=1S/C12H16N2O2S/c1-10-2-4-11(5-3-10)17(15,16)14-8-12(9-14)6-13-7-12/h2-5,13H,6-9H2,1H3
InChI Key:
GOQYFDVOQJGXBA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CC2(C1)CNC2
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.093g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.332g/mol
Monoisotopic Mass:
252.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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