methyl 1,1-dioxo-1,2-thiazolidine-3-carboxylate

C5H9NO4S — CID 11240805

IUPACmethyl 1,1-dioxo-1,2-thiazolidine-3-carboxylate
SMILESCOC(=O)C1CCS(=O)(=O)N1
InChIInChI=1S/C5H9NO4S/c1-10-5(7)4-2-3-11(8,9)6-4/h4,6H,2-3H2,1H3
InChIKeyUETBQZUGBOZWRA-UHFFFAOYSA-N
MW179.20 g/mol
LogP-1.15
Rot. Bonds1

About methyl 1,1-dioxo-1,2-thiazolidine-3-carboxylate

methyl 1,1-dioxo-1,2-thiazolidine-3-carboxylate (PubChem CID 11240805) has the molecular formula C5H9NO4S and a molecular weight of 179.20 g/mol. Its IUPAC name is methyl 1,1-dioxo-1,2-thiazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1,1-dioxo-1,2-thiazolidine-3-carboxylate
PubChem CID11240805
Molecular FormulaC5H9NO4S
Molecular Weight179.20 g/mol
Exact Mass179.03
IUPAC Namemethyl 1,1-dioxo-1,2-thiazolidine-3-carboxylate
SMILESCOC(=O)C1CCS(=O)(=O)N1
InChIInChI=1S/C5H9NO4S/c1-10-5(7)4-2-3-11(8,9)6-4/h4,6H,2-3H2,1H3
InChIKeyUETBQZUGBOZWRA-UHFFFAOYSA-N
XLogP-1.15
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1,1-dioxo-1,2-thiazolidine-3-carboxylate?
The IUPAC name of methyl 1,1-dioxo-1,2-thiazolidine-3-carboxylate (CID 11240805) is methyl 1,1-dioxo-1,2-thiazolidine-3-carboxylate.
What is the SMILES notation for methyl 1,1-dioxo-1,2-thiazolidine-3-carboxylate?
The canonical SMILES for methyl 1,1-dioxo-1,2-thiazolidine-3-carboxylate is COC(=O)C1CCS(=O)(=O)N1.
What is the InChIKey of methyl 1,1-dioxo-1,2-thiazolidine-3-carboxylate?
The InChIKey is UETBQZUGBOZWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4S/c1-10-5(7)4-2-3-11(8,9)6-4/h4,6H,2-3H2,1H3.
What are the key properties of methyl 1,1-dioxo-1,2-thiazolidine-3-carboxylate?
methyl 1,1-dioxo-1,2-thiazolidine-3-carboxylate has a molecular weight of 179.20 g/mol, XLogP of -1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,1-dioxo-1,2-thiazolidine-3-carboxylate is sourced from PubChem (CID 11240805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).