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1422060-94-3 | N-((4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridin-3-yl)methyl)methanesulfonamide
CAS No: 1422060-94-3 Catalog No: AG01DKFL MDL No:
Product Description
Catalog Number:
AG01DKFL
Chemical Name:
N-((4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridin-3-yl)methyl)methanesulfonamide
CAS Number:
1422060-94-3
Molecular Formula:
C8H13N3O3S
Molecular Weight:
231.2721
IUPAC Name:
N-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-ylmethyl)methanesulfonamide
InChI:
InChI=1S/C8H13N3O3S/c1-15(12,13)10-5-7-6-4-9-3-2-8(6)14-11-7/h9-10H,2-5H2,1H3
InChI Key:
YLTCUZSRAQXMCS-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)NCc1noc2c1CNCC2
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.068g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.27g/mol
Monoisotopic Mass:
231.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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