3-[(3S,4S)-3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione

C10H15FN2O3S — CID 87416567

IUPAC3-[(3S,4S)-3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1[C@H]1CCN(CCO)C[C@@H]1F
InChIInChI=1S/C10H15FN2O3S/c11-7-5-12(3-4-14)2-1-8(7)13-9(15)6-17-10(13)16/h7-8,14H,1-6H2/t7-,8-/m0/s1
InChIKeyUZQNRANDYYDOJD-YUMQZZPRSA-N
MW262.31 g/mol
LogP0.09
Rot. Bonds3

About 3-[(3S,4S)-3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione

3-[(3S,4S)-3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 87416567) has the molecular formula C10H15FN2O3S and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[(3S,4S)-3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3S,4S)-3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
PubChem CID87416567
Molecular FormulaC10H15FN2O3S
Molecular Weight262.31 g/mol
Exact Mass262.08
IUPAC Name3-[(3S,4S)-3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1[C@H]1CCN(CCO)C[C@@H]1F
InChIInChI=1S/C10H15FN2O3S/c11-7-5-12(3-4-14)2-1-8(7)13-9(15)6-17-10(13)16/h7-8,14H,1-6H2/t7-,8-/m0/s1
InChIKeyUZQNRANDYYDOJD-YUMQZZPRSA-N
XLogP0.09
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(3S,4S)-3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[(3S,4S)-3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione (CID 87416567) is 3-[(3S,4S)-3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[(3S,4S)-3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[(3S,4S)-3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1[C@H]1CCN(CCO)C[C@@H]1F.
What is the InChIKey of 3-[(3S,4S)-3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is UZQNRANDYYDOJD-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H15FN2O3S/c11-7-5-12(3-4-14)2-1-8(7)13-9(15)6-17-10(13)16/h7-8,14H,1-6H2/t7-,8-/m0/s1.
What are the key properties of 3-[(3S,4S)-3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione?
3-[(3S,4S)-3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 262.31 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4S)-3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 87416567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).