1,1-dioxo-1,3-thiazolidin-4-one

C3H5NO3S — CID 21436347

IUPAC1,1-dioxo-1,3-thiazolidin-4-one
SMILESO=C1CS(=O)(=O)CN1
InChIInChI=1S/C3H5NO3S/c5-3-1-8(6,7)2-4-3/h1-2H2,(H,4,5)
InChIKeyPMUUMIFVDJZVOX-UHFFFAOYSA-N
MW135.14 g/mol
LogP-1.51
Rot. Bonds

About 1,1-dioxo-1,3-thiazolidin-4-one

1,1-dioxo-1,3-thiazolidin-4-one (PubChem CID 21436347) has the molecular formula C3H5NO3S and a molecular weight of 135.14 g/mol. Its IUPAC name is 1,1-dioxo-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name1,1-dioxo-1,3-thiazolidin-4-one
PubChem CID21436347
Molecular FormulaC3H5NO3S
Molecular Weight135.14 g/mol
Exact Mass135.00
IUPAC Name1,1-dioxo-1,3-thiazolidin-4-one
SMILESO=C1CS(=O)(=O)CN1
InChIInChI=1S/C3H5NO3S/c5-3-1-8(6,7)2-4-3/h1-2H2,(H,4,5)
InChIKeyPMUUMIFVDJZVOX-UHFFFAOYSA-N
XLogP-1.51
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 5-1.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-1,3-thiazolidin-4-one?
The IUPAC name of 1,1-dioxo-1,3-thiazolidin-4-one (CID 21436347) is 1,1-dioxo-1,3-thiazolidin-4-one.
What is the SMILES notation for 1,1-dioxo-1,3-thiazolidin-4-one?
The canonical SMILES for 1,1-dioxo-1,3-thiazolidin-4-one is O=C1CS(=O)(=O)CN1.
What is the InChIKey of 1,1-dioxo-1,3-thiazolidin-4-one?
The InChIKey is PMUUMIFVDJZVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO3S/c5-3-1-8(6,7)2-4-3/h1-2H2,(H,4,5).
What are the key properties of 1,1-dioxo-1,3-thiazolidin-4-one?
1,1-dioxo-1,3-thiazolidin-4-one has a molecular weight of 135.14 g/mol, XLogP of -1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-1,3-thiazolidin-4-one is sourced from PubChem (CID 21436347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).