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

C9H16F2N2O2S — CID 171523782

IUPAC2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide
SMILESCC1CCN([C@H]2CNCC(F)(F)C2)S1(=O)=O
InChIInChI=1S/C9H16F2N2O2S/c1-7-2-3-13(16(7,14)15)8-4-9(10,11)6-12-5-8/h7-8,12H,2-6H2,1H3/t7?,8-/m1/s1
InChIKeyFXOBODCMJUCSEC-BRFYHDHCSA-N
MW254.30 g/mol
LogP0.41
Rot. Bonds1

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

2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 171523782) has the molecular formula C9H16F2N2O2S and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide
PubChem CID171523782
Molecular FormulaC9H16F2N2O2S
Molecular Weight254.30 g/mol
Exact Mass254.09
IUPAC Name2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide
SMILESCC1CCN([C@H]2CNCC(F)(F)C2)S1(=O)=O
InChIInChI=1S/C9H16F2N2O2S/c1-7-2-3-13(16(7,14)15)8-4-9(10,11)6-12-5-8/h7-8,12H,2-6H2,1H3/t7?,8-/m1/s1
InChIKeyFXOBODCMJUCSEC-BRFYHDHCSA-N
XLogP0.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide (CID 171523782) is 2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide is CC1CCN([C@H]2CNCC(F)(F)C2)S1(=O)=O.
What is the InChIKey of 2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is FXOBODCMJUCSEC-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H16F2N2O2S/c1-7-2-3-13(16(7,14)15)8-4-9(10,11)6-12-5-8/h7-8,12H,2-6H2,1H3/t7?,8-/m1/s1.
What are the key properties of 2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide?
2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 254.30 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 171523782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).