methyl 2,5-dimethyl-4-morpholin-4-ylsulfonylfuran-3-carboxylate

C12H17NO6S — CID 2743001

IUPACmethyl 2,5-dimethyl-4-morpholin-4-ylsulfonylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C12H17NO6S/c1-8-10(12(14)17-3)11(9(2)19-8)20(15,16)13-4-6-18-7-5-13/h4-7H2,1-3H3
InChIKeyAFVYPHMNSWGXCJ-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.70
Rot. Bonds3

About methyl 2,5-dimethyl-4-morpholin-4-ylsulfonylfuran-3-carboxylate

methyl 2,5-dimethyl-4-morpholin-4-ylsulfonylfuran-3-carboxylate (PubChem CID 2743001) has the molecular formula C12H17NO6S and a molecular weight of 303.34 g/mol. Its IUPAC name is methyl 2,5-dimethyl-4-morpholin-4-ylsulfonylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dimethyl-4-morpholin-4-ylsulfonylfuran-3-carboxylate
PubChem CID2743001
Molecular FormulaC12H17NO6S
Molecular Weight303.34 g/mol
Exact Mass303.08
IUPAC Namemethyl 2,5-dimethyl-4-morpholin-4-ylsulfonylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C12H17NO6S/c1-8-10(12(14)17-3)11(9(2)19-8)20(15,16)13-4-6-18-7-5-13/h4-7H2,1-3H3
InChIKeyAFVYPHMNSWGXCJ-UHFFFAOYSA-N
XLogP0.70
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dimethyl-4-morpholin-4-ylsulfonylfuran-3-carboxylate?
The IUPAC name of methyl 2,5-dimethyl-4-morpholin-4-ylsulfonylfuran-3-carboxylate (CID 2743001) is methyl 2,5-dimethyl-4-morpholin-4-ylsulfonylfuran-3-carboxylate.
What is the SMILES notation for methyl 2,5-dimethyl-4-morpholin-4-ylsulfonylfuran-3-carboxylate?
The canonical SMILES for methyl 2,5-dimethyl-4-morpholin-4-ylsulfonylfuran-3-carboxylate is COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCOCC1.
What is the InChIKey of methyl 2,5-dimethyl-4-morpholin-4-ylsulfonylfuran-3-carboxylate?
The InChIKey is AFVYPHMNSWGXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6S/c1-8-10(12(14)17-3)11(9(2)19-8)20(15,16)13-4-6-18-7-5-13/h4-7H2,1-3H3.
What are the key properties of methyl 2,5-dimethyl-4-morpholin-4-ylsulfonylfuran-3-carboxylate?
methyl 2,5-dimethyl-4-morpholin-4-ylsulfonylfuran-3-carboxylate has a molecular weight of 303.34 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dimethyl-4-morpholin-4-ylsulfonylfuran-3-carboxylate is sourced from PubChem (CID 2743001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).