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

C8H11FN2O2S — CID 87277778

IUPAC3-[(3R,4R)-3-fluoropiperidin-4-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1[C@@H]1CCNC[C@H]1F
InChIInChI=1S/C8H11FN2O2S/c9-5-3-10-2-1-6(5)11-7(12)4-14-8(11)13/h5-6,10H,1-4H2/t5-,6-/m1/s1
InChIKeyCEBJKYGYELUJGA-PHDIDXHHSA-N
MW218.25 g/mol
LogP0.38
Rot. Bonds1

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

3-[(3R,4R)-3-fluoropiperidin-4-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 87277778) has the molecular formula C8H11FN2O2S and a molecular weight of 218.25 g/mol. Its IUPAC name is 3-[(3R,4R)-3-fluoropiperidin-4-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3R,4R)-3-fluoropiperidin-4-yl]-1,3-thiazolidine-2,4-dione
PubChem CID87277778
Molecular FormulaC8H11FN2O2S
Molecular Weight218.25 g/mol
Exact Mass218.05
IUPAC Name3-[(3R,4R)-3-fluoropiperidin-4-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1[C@@H]1CCNC[C@H]1F
InChIInChI=1S/C8H11FN2O2S/c9-5-3-10-2-1-6(5)11-7(12)4-14-8(11)13/h5-6,10H,1-4H2/t5-,6-/m1/s1
InChIKeyCEBJKYGYELUJGA-PHDIDXHHSA-N
XLogP0.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 3057285
CID 3057285
CID 87278539
CID 87278539
CID 45796543
CID 45796543
CID 58530934
CID 58530934
CID 87277776
CID 87277776
CID 87277777
CID 87277777
CID 87278537
CID 87278537
CID 87278538
CID 87278538
CID 144287086
CID 144287086
CID 144287322
CID 144287322
CID 119373587
CID 119373587
CID 119386648
CID 119386648

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-3-fluoropiperidin-4-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[(3R,4R)-3-fluoropiperidin-4-yl]-1,3-thiazolidine-2,4-dione (CID 87277778) is 3-[(3R,4R)-3-fluoropiperidin-4-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[(3R,4R)-3-fluoropiperidin-4-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[(3R,4R)-3-fluoropiperidin-4-yl]-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1[C@@H]1CCNC[C@H]1F.
What is the InChIKey of 3-[(3R,4R)-3-fluoropiperidin-4-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is CEBJKYGYELUJGA-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H11FN2O2S/c9-5-3-10-2-1-6(5)11-7(12)4-14-8(11)13/h5-6,10H,1-4H2/t5-,6-/m1/s1.
What are the key properties of 3-[(3R,4R)-3-fluoropiperidin-4-yl]-1,3-thiazolidine-2,4-dione?
3-[(3R,4R)-3-fluoropiperidin-4-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 218.25 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-3-fluoropiperidin-4-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 87277778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).