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Home > Other Heterocycles > 1823446-81-6
1823446-81-6 | tert-butyl N-{3,3-dioxo-3lambda6-thia-7-azabicyclo[3.3.1]nonan-9-yl}carbamate
CAS No: 1823446-81-6 Catalog No: AG01B4FW MDL No:MFCD30180695
Product Description
Catalog Number:
AG01B4FW
Chemical Name:
tert-butyl N-{3,3-dioxo-3lambda6-thia-7-azabicyclo[3.3.1]nonan-9-yl}carbamate
CAS Number:
1823446-81-6
Molecular Formula:
C12H22N2O4S
Molecular Weight:
290.3791
MDL Number:
MFCD30180695
IUPAC Name:
tert-butyl N-(3,3-dioxo-3λ6-thia-7-azabicyclo[3.3.1]nonan-9-yl)carbamate
InChI:
InChI=1S/C12H22N2O4S/c1-12(2,3)18-11(15)14-10-8-4-13-5-9(10)7-19(16,17)6-8/h8-10,13H,4-7H2,1-3H3,(H,14,15)
InChI Key:
IBPAVAZYFVZODY-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1C2CNCC1CS(=O)(=O)C2
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.13g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.378g/mol
Monoisotopic Mass:
290.13g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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