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Home > Pyridines > 1422135-84-9
1422135-84-9 | (3aS,7aS)-N,N-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine-5-sulfonamide
CAS No: 1422135-84-9 Catalog No: AG01DKHD MDL No:
Product Description
Catalog Number:
AG01DKHD
Chemical Name:
(3aS,7aS)-N,N-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine-5-sulfonamide
CAS Number:
1422135-84-9
Molecular Formula:
C9H19N3O2S
Molecular Weight:
233.3311
IUPAC Name:
(3aS,7aS)-N,N-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine-5-sulfonamide
InChI:
InChI=1S/C9H19N3O2S/c1-11(2)15(13,14)12-4-3-8-5-10-6-9(8)7-12/h8-10H,3-7H2,1-2H3/t8-,9+/m1/s1
InChI Key:
SOVPZOXBSZZYTJ-BDAKNGLRSA-N
SMILES:
CN(S(=O)(=O)N1CC[C@H]2[C@H](C1)CNC2)C
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
233.12g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.33g/mol
Monoisotopic Mass:
233.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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