3-[(3R)-oxolan-3-yl]-1,3-thiazolidine-2,4-dione

C7H9NO3S — CID 87277977

IUPAC3-[(3R)-oxolan-3-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1[C@@H]1CCOC1
InChIInChI=1S/C7H9NO3S/c9-6-4-12-7(10)8(6)5-1-2-11-3-5/h5H,1-4H2/t5-/m1/s1
InChIKeyOVSLEDZVVICPET-RXMQYKEDSA-N
MW187.22 g/mol
LogP0.47
Rot. Bonds1

About 3-[(3R)-oxolan-3-yl]-1,3-thiazolidine-2,4-dione

3-[(3R)-oxolan-3-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 87277977) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 3-[(3R)-oxolan-3-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3R)-oxolan-3-yl]-1,3-thiazolidine-2,4-dione
PubChem CID87277977
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name3-[(3R)-oxolan-3-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1[C@@H]1CCOC1
InChIInChI=1S/C7H9NO3S/c9-6-4-12-7(10)8(6)5-1-2-11-3-5/h5H,1-4H2/t5-/m1/s1
InChIKeyOVSLEDZVVICPET-RXMQYKEDSA-N
XLogP0.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-oxolan-3-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[(3R)-oxolan-3-yl]-1,3-thiazolidine-2,4-dione (CID 87277977) is 3-[(3R)-oxolan-3-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[(3R)-oxolan-3-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[(3R)-oxolan-3-yl]-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1[C@@H]1CCOC1.
What is the InChIKey of 3-[(3R)-oxolan-3-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is OVSLEDZVVICPET-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H9NO3S/c9-6-4-12-7(10)8(6)5-1-2-11-3-5/h5H,1-4H2/t5-/m1/s1.
What are the key properties of 3-[(3R)-oxolan-3-yl]-1,3-thiazolidine-2,4-dione?
3-[(3R)-oxolan-3-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 187.22 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-oxolan-3-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 87277977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).