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Home > Other Heterocycles > 944068-43-3
944068-43-3 | (1R,4R)-2-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptane
CAS No: 944068-43-3 Catalog No: AG00II51 MDL No:MFCD22581536
Product Description
Catalog Number:
AG00II51
Chemical Name:
(1R,4R)-2-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptane
CAS Number:
944068-43-3
Molecular Formula:
C6H12N2O2S
Molecular Weight:
176.2367
MDL Number:
MFCD22581536
IUPAC Name:
2-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptane
InChI:
InChI=1S/C6H12N2O2S/c1-11(9,10)8-4-5-2-6(8)3-7-5/h5-7H,2-4H2,1H3
InChI Key:
KQFMRBHXRDGEAH-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)N1CC2CC1CN2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.062g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.234g/mol
Monoisotopic Mass:
176.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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