piperidine;1,3-thiazolidine-2,4-dione

C8H14N2O2S — CID 3057285

IUPACpiperidine;1,3-thiazolidine-2,4-dione
SMILESC1CCNCC1.O=C1CSC(=O)N1
InChIInChI=1S/C5H11N.C3H3NO2S/c1-2-4-6-5-3-1;5-2-1-7-3(6)4-2/h6H,1-5H2;1H2,(H,4,5,6)
InChIKeyATHWHSAQWLJMQO-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.73
Rot. Bonds

About piperidine;1,3-thiazolidine-2,4-dione

piperidine;1,3-thiazolidine-2,4-dione (PubChem CID 3057285) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is piperidine;1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Namepiperidine;1,3-thiazolidine-2,4-dione
PubChem CID3057285
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Namepiperidine;1,3-thiazolidine-2,4-dione
SMILESC1CCNCC1.O=C1CSC(=O)N1
InChIInChI=1S/C5H11N.C3H3NO2S/c1-2-4-6-5-3-1;5-2-1-7-3(6)4-2/h6H,1-5H2;1H2,(H,4,5,6)
InChIKeyATHWHSAQWLJMQO-UHFFFAOYSA-N
XLogP0.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
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 piperidine;1,3-thiazolidine-2,4-dione?
The IUPAC name of piperidine;1,3-thiazolidine-2,4-dione (CID 3057285) is piperidine;1,3-thiazolidine-2,4-dione.
What is the SMILES notation for piperidine;1,3-thiazolidine-2,4-dione?
The canonical SMILES for piperidine;1,3-thiazolidine-2,4-dione is C1CCNCC1.O=C1CSC(=O)N1.
What is the InChIKey of piperidine;1,3-thiazolidine-2,4-dione?
The InChIKey is ATHWHSAQWLJMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C3H3NO2S/c1-2-4-6-5-3-1;5-2-1-7-3(6)4-2/h6H,1-5H2;1H2,(H,4,5,6).
What are the key properties of piperidine;1,3-thiazolidine-2,4-dione?
piperidine;1,3-thiazolidine-2,4-dione has a molecular weight of 202.28 g/mol, XLogP of 0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine;1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 3057285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).