4-(1,1-Dioxido-4-thiomorpholinyl)-2-methoxybenzenamine - CAS 1021425-36-4
Catalog: |
BB062718 |
Product Name: |
4-(1,1-Dioxido-4-thiomorpholinyl)-2-methoxybenzenamine |
CAS: |
1021425-36-4 |
Synonyms: |
4-(4-Amino-3-methoxyphenyl)-1lambda6-thiomorpholine-1,1-dione; 4-(4-amino-3-methoxyphenyl)thiomorpholine 1,1-dioxide |
IUPAC Name: | 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methoxyaniline |
Description: | 4-(1,1-Dioxido-4-thiomorpholinyl)-2-methoxybenzenamine is an intermediate in the synthesis of N-(4-(1,1-Dioxidothiomorpholino)-2-methoxyphenyl)-6-(1H-pyrazol-3-yl)picolinamide (D144650). |
Molecular Weight: | 256.32 |
Molecular Formula: | C11H16N2O3S |
Canonical SMILES: | COC1=C(C=CC(=C1)N2CCS(=O)(=O)CC2)N |
InChI: | InChI=1S/C11H16N2O3S/c1-16-11-8-9(2-3-10(11)12)13-4-6-17(14,15)7-5-13/h2-3,8H,4-7,12H2,1H3 |
InChI Key: | UEPJCFZDYMFNLN-UHFFFAOYSA-N |
Complexity: | 338 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.08816355 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.08816355 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 81Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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