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

C9H15ClF2N2O2S — CID 171523928

IUPAC(5R)-2-[(3R)-1-chloro-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide
SMILESC[C@@H]1CCN([C@H]2CN(Cl)CC(F)(F)C2)S1(=O)=O
InChIInChI=1S/C9H15ClF2N2O2S/c1-7-2-3-14(17(7,15)16)8-4-9(11,12)6-13(10)5-8/h7-8H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyVRGBROCKIQHUIK-HTQZYQBOSA-N
MW288.75 g/mol
LogP1.27
Rot. Bonds1

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

(5R)-2-[(3R)-1-chloro-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 171523928) has the molecular formula C9H15ClF2N2O2S and a molecular weight of 288.75 g/mol. Its IUPAC name is (5R)-2-[(3R)-1-chloro-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name(5R)-2-[(3R)-1-chloro-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide
PubChem CID171523928
Molecular FormulaC9H15ClF2N2O2S
Molecular Weight288.75 g/mol
Exact Mass288.05
IUPAC Name(5R)-2-[(3R)-1-chloro-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide
SMILESC[C@@H]1CCN([C@H]2CN(Cl)CC(F)(F)C2)S1(=O)=O
InChIInChI=1S/C9H15ClF2N2O2S/c1-7-2-3-14(17(7,15)16)8-4-9(11,12)6-13(10)5-8/h7-8H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyVRGBROCKIQHUIK-HTQZYQBOSA-N
XLogP1.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze (5R)-2-[(3R)-1-chloro-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 (5R)-2-[(3R)-1-chloro-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of (5R)-2-[(3R)-1-chloro-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide (CID 171523928) is (5R)-2-[(3R)-1-chloro-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for (5R)-2-[(3R)-1-chloro-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for (5R)-2-[(3R)-1-chloro-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide is C[C@@H]1CCN([C@H]2CN(Cl)CC(F)(F)C2)S1(=O)=O.
What is the InChIKey of (5R)-2-[(3R)-1-chloro-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is VRGBROCKIQHUIK-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H15ClF2N2O2S/c1-7-2-3-14(17(7,15)16)8-4-9(11,12)6-13(10)5-8/h7-8H,2-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of (5R)-2-[(3R)-1-chloro-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide?
(5R)-2-[(3R)-1-chloro-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 288.75 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[(3R)-1-chloro-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 171523928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).