4-Azetidin-3-yl-thiomorpholine-1,1-dioxide dihydrochloride - CAS 178312-02-2
Catalog: |
BB013444 |
Product Name: |
4-Azetidin-3-yl-thiomorpholine-1,1-dioxide dihydrochloride |
CAS: |
178312-02-2 |
Synonyms: |
4-(azetidin-3-yl)-1,4-thiazinane 1,1-dioxide;dihydrochloride |
IUPAC Name: | 4-(azetidin-3-yl)-1,4-thiazinane 1,1-dioxide;dihydrochloride |
Description: | 4-Azetidin-3-yl-thiomorpholine-1,1-dioxide dihydrochloride (CAS# 178312-02-2) is a useful research chemical. |
Molecular Weight: | 263.19 |
Molecular Formula: | C7H14N2O2S · 2HCl |
Canonical SMILES: | C1CS(=O)(=O)CCN1C2CNC2.Cl.Cl |
InChI: | InChI=1S/C7H14N2O2S.2ClH/c10-12(11)3-1-9(2-4-12)7-5-8-6-7;;/h7-8H,1-6H2;2*1H |
InChI Key: | AXHOLMAQHXNIGR-UHFFFAOYSA-N |
Purity: | 97.0 % |
MDL: | MFCD22123267 |
LogP: | 1.64010 |
Publication Number | Title | Priority Date |
EP-3800188-A1 | Substituted pyrazolopyrimidines as irak4 inhibitors | 20191002 |
WO-2021064077-A1 | Substituted pyrazolopyrimidines as irak4 inhibitors | 20191002 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.0309543 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.0309543 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Related Functional Groups
Morpholines/Thiomorpholines
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