Home Carboxys tert-butyl 1,1-dioxo-hexahydro-2H-1lambda6-[1,2,5]thiadiazolo[2,3-a]piperazine-5-carboxylate

tert-butyl 1,1-dioxo-hexahydro-2H-1lambda6-[1,2,5]thiadiazolo[2,3-a]piperazine-5-carboxylate

CAS No.:
1797583-04-0
Catalog Number:
AG01BCQN
Molecular Formula:
C10H19N3O4S
Molecular Weight:
277.3406
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Product Description
Catalog Number:
AG01BCQN
Chemical Name:
tert-butyl 1,1-dioxo-hexahydro-2H-1lambda6-[1,2,5]thiadiazolo[2,3-a]piperazine-5-carboxylate
CAS Number:
1797583-04-0
Molecular Formula:
C10H19N3O4S
Molecular Weight:
277.3406
MDL Number:
MFCD28012274
IUPAC Name:
tert-butyl 1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2,5]thiadiazolo[2,3-a]pyrazine-5-carboxylate
InChI:
InChI=1S/C10H19N3O4S/c1-10(2,3)17-9(14)12-4-5-13-8(7-12)6-11-18(13,15)16/h8,11H,4-7H2,1-3H3
InChI Key:
AUGMRHOXYQBPGE-UHFFFAOYSA-N
SMILES:
O=C(N1CCN2C(C1)CNS2(=O)=O)OC(C)(C)C
Properties
Complexity:
437  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.11g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
277.339g/mol
Monoisotopic Mass:
277.11g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties