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

C9H16F2N2O2S — CID 171523858

IUPAC(5R)-2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide
SMILESC[C@@H]1CCN([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-HTQZYQBOSA-N
MW254.30 g/mol
LogP0.41
Rot. Bonds1

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

(5R)-2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 171523858) has the molecular formula C9H16F2N2O2S and a molecular weight of 254.30 g/mol. Its IUPAC name is (5R)-2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name(5R)-2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide
PubChem CID171523858
Molecular FormulaC9H16F2N2O2S
Molecular Weight254.30 g/mol
Exact Mass254.09
IUPAC Name(5R)-2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide
SMILESC[C@@H]1CCN([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-HTQZYQBOSA-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

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of (5R)-2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide (CID 171523858) is (5R)-2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for (5R)-2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for (5R)-2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide is C[C@@H]1CCN([C@H]2CNCC(F)(F)C2)S1(=O)=O.
What is the InChIKey of (5R)-2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is FXOBODCMJUCSEC-HTQZYQBOSA-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 (5R)-2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide?
(5R)-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 (5R)-2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 171523858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).