2-[(3S,5S)-5-fluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide

C8H15FN2O2S — CID 171524067

IUPAC2-[(3S,5S)-5-fluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1[C@@H]1CNC[C@@H](F)C1
InChIInChI=1S/C8H15FN2O2S/c9-7-4-8(6-10-5-7)11-2-1-3-14(11,12)13/h7-8,10H,1-6H2/t7-,8-/m0/s1
InChIKeyRJIGNQRTBPOQBW-YUMQZZPRSA-N
MW222.28 g/mol
LogP-0.28
Rot. Bonds1

About 2-[(3S,5S)-5-fluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide

2-[(3S,5S)-5-fluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 171524067) has the molecular formula C8H15FN2O2S and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-[(3S,5S)-5-fluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(3S,5S)-5-fluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide
PubChem CID171524067
Molecular FormulaC8H15FN2O2S
Molecular Weight222.28 g/mol
Exact Mass222.08
IUPAC Name2-[(3S,5S)-5-fluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1[C@@H]1CNC[C@@H](F)C1
InChIInChI=1S/C8H15FN2O2S/c9-7-4-8(6-10-5-7)11-2-1-3-14(11,12)13/h7-8,10H,1-6H2/t7-,8-/m0/s1
InChIKeyRJIGNQRTBPOQBW-YUMQZZPRSA-N
XLogP-0.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,5S)-5-fluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[(3S,5S)-5-fluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide (CID 171524067) is 2-[(3S,5S)-5-fluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(3S,5S)-5-fluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(3S,5S)-5-fluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1[C@@H]1CNC[C@@H](F)C1.
What is the InChIKey of 2-[(3S,5S)-5-fluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is RJIGNQRTBPOQBW-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H15FN2O2S/c9-7-4-8(6-10-5-7)11-2-1-3-14(11,12)13/h7-8,10H,1-6H2/t7-,8-/m0/s1.
What are the key properties of 2-[(3S,5S)-5-fluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide?
2-[(3S,5S)-5-fluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 222.28 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5S)-5-fluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 171524067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).