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

C8H14F2N2O2S — CID 171523869

IUPAC2-[(3S)-5,5-difluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1[C@@H]1CNCC(F)(F)C1
InChIInChI=1S/C8H14F2N2O2S/c9-8(10)4-7(5-11-6-8)12-2-1-3-15(12,13)14/h7,11H,1-6H2/t7-/m0/s1
InChIKeyDSUCXMZOLMPHDZ-ZETCQYMHSA-N
MW240.27 g/mol
LogP0.02
Rot. Bonds1

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

2-[(3S)-5,5-difluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 171523869) has the molecular formula C8H14F2N2O2S and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-[(3S)-5,5-difluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(3S)-5,5-difluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide
PubChem CID171523869
Molecular FormulaC8H14F2N2O2S
Molecular Weight240.27 g/mol
Exact Mass240.07
IUPAC Name2-[(3S)-5,5-difluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1[C@@H]1CNCC(F)(F)C1
InChIInChI=1S/C8H14F2N2O2S/c9-8(10)4-7(5-11-6-8)12-2-1-3-15(12,13)14/h7,11H,1-6H2/t7-/m0/s1
InChIKeyDSUCXMZOLMPHDZ-ZETCQYMHSA-N
XLogP0.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-5,5-difluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[(3S)-5,5-difluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide (CID 171523869) is 2-[(3S)-5,5-difluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(3S)-5,5-difluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(3S)-5,5-difluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1[C@@H]1CNCC(F)(F)C1.
What is the InChIKey of 2-[(3S)-5,5-difluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is DSUCXMZOLMPHDZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14F2N2O2S/c9-8(10)4-7(5-11-6-8)12-2-1-3-15(12,13)14/h7,11H,1-6H2/t7-/m0/s1.
What are the key properties of 2-[(3S)-5,5-difluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide?
2-[(3S)-5,5-difluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 240.27 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-5,5-difluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 171523869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).