AC1MEOBT
4-methyl-4-[3-(4-methylmorpholin-4-ium-4-yl)propanoylamino]-1,1-dioxothiolane-3-sulfonate
Also Known As: BAS 00478786|4-methyl-4-[3-(4-methylmorpholin-4-ium-4-yl)propanoylamino]-1,1-dioxothiolane-3-sulfonate|4-methyl-4-[3-(4-methylmorpholin-4-yl)propanoylamino]-1,1-dioxothiolane-3-sulf onic acid|4-methyl-4-(3-(4-methylmorpholino-4-ium)propanamido)tetrahydrothiophene-3-sulfonate 1,1-dioxide|4-methyl-4-{[3-(4-methylmorpholin-4-ium-4-yl)propanoyl]amino}tetrahydrothiophene-3-sulfonate 1,1-dioxide
| Molecular Formula | C13H24N2O7S2 |
|---|---|
| Molecular Weight | 384.1025 g/mol |
| LogP | -1.9296 |
| Topological Polar Surface Area | 129.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.1025 |
| Monoisotopic Mass | 384.1025 |
| Heavy Atoms | 24 |
| Complexity | 697.83185 |
Chemical Identifiers
| CAS Number | 333393-65-0 |
|---|---|
| SMILES | CC1(CS(=O)(=O)CC1S(=O)(=O)[O-])NC(=O)CC[N+]2(CCOCC2)C |
Product Overview
AC1MEOBT (CAS 333393-65-0), with molecular formula C13H24N2O7S2 and molecular weight 384.1025 g/mol. IUPAC: 4-methyl-4-[3-(4-methylmorpholin-4-ium-4-yl)propanoylamino]-1,1-dioxothiolane-3-sulfonate.
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