methyl 5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methylfuran-2-carboxylate

C11H15NO5S — CID 47293816

IUPACmethyl 5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methylfuran-2-carboxylate
SMILESCOC(=O)c1oc(CN2CCCS2(=O)=O)cc1C
InChIInChI=1S/C11H15NO5S/c1-8-6-9(17-10(8)11(13)16-2)7-12-4-3-5-18(12,14)15/h6H,3-5,7H2,1-2H3
InChIKeyZUHYJGDZBNXVBJ-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.91
Rot. Bonds3

About methyl 5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methylfuran-2-carboxylate

methyl 5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methylfuran-2-carboxylate (PubChem CID 47293816) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methylfuran-2-carboxylate
PubChem CID47293816
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Namemethyl 5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methylfuran-2-carboxylate
SMILESCOC(=O)c1oc(CN2CCCS2(=O)=O)cc1C
InChIInChI=1S/C11H15NO5S/c1-8-6-9(17-10(8)11(13)16-2)7-12-4-3-5-18(12,14)15/h6H,3-5,7H2,1-2H3
InChIKeyZUHYJGDZBNXVBJ-UHFFFAOYSA-N
XLogP0.91
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methylfuran-2-carboxylate?
The IUPAC name of methyl 5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methylfuran-2-carboxylate (CID 47293816) is methyl 5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methylfuran-2-carboxylate.
What is the SMILES notation for methyl 5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methylfuran-2-carboxylate?
The canonical SMILES for methyl 5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methylfuran-2-carboxylate is COC(=O)c1oc(CN2CCCS2(=O)=O)cc1C.
What is the InChIKey of methyl 5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methylfuran-2-carboxylate?
The InChIKey is ZUHYJGDZBNXVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-8-6-9(17-10(8)11(13)16-2)7-12-4-3-5-18(12,14)15/h6H,3-5,7H2,1-2H3.
What are the key properties of methyl 5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methylfuran-2-carboxylate?
methyl 5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methylfuran-2-carboxylate has a molecular weight of 273.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methylfuran-2-carboxylate is sourced from PubChem (CID 47293816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).