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Home > Other Heterocycles > 1422063-03-3
1422063-03-3 | 3-(thiophen-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
CAS No: 1422063-03-3 Catalog No: AG01DJHP MDL No:
Product Description
Catalog Number:
AG01DJHP
Chemical Name:
3-(thiophen-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
CAS Number:
1422063-03-3
Molecular Formula:
C11H16N2S
Molecular Weight:
208.3231
IUPAC Name:
3-(thiophen-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
InChI:
InChI=1S/C11H16N2S/c1-2-11(14-5-1)8-13-6-9-3-4-10(7-13)12-9/h1-2,5,9-10,12H,3-4,6-8H2
InChI Key:
LRWCFBIVFOWEPK-UHFFFAOYSA-N
SMILES:
c1csc(c1)CN1CC2CCC(C1)N2
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.103g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.323g/mol
Monoisotopic Mass:
208.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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