1-(Methylsulfonyl)-3-piperidinamine Trifluoroacetic Acid Salt - CAS 1262309-99-8
Catalog: |
BB076069 |
Product Name: |
1-(Methylsulfonyl)-3-piperidinamine Trifluoroacetic Acid Salt |
CAS: |
1262309-99-8 |
Synonyms: |
1-(Methylsulfonyl)-3-piperidinamine 2,2,2-Trifluoroacetate; 1-(Methylsulfonyl)piperidin-3-amine Trifluoroacetate |
IUPAC Name: | 1-methylsulfonylpiperidin-3-amine2,2,2-trifluoroacetic acid |
Description: | A pyridine derivative used in the preparation of pharmaceutical compounds such as inhibitors of kinases for treating cancer. |
Molecular Weight: | 292.28 |
Molecular Formula: | C8H15F3N2O4S |
Canonical SMILES: | CS(=O)(=O)N1CCCC(C1)N.C(=O)(C(F)(F)F)O |
InChI: | InChI=1S/C6H14N2O2S.C2HF3O2/c1-11(9,10)8-4-2-3-6(7)5-83-2(4,5)1(6)7/h6H,2-5,7H2,1H3(H,6,7) |
InChI Key: | ZFIKCKANJFHZRG-UHFFFAOYSA-N |
Complexity: | 303 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 292.07046262 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 292.07046262 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 109Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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