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

C10H18F2N2O2S — CID 171524069

IUPAC2-[(3R)-5,5-difluoropiperidin-3-yl]-5,5-dimethyl-1,2-thiazolidine 1,1-dioxide
SMILESCC1(C)CCN([C@H]2CNCC(F)(F)C2)S1(=O)=O
InChIInChI=1S/C10H18F2N2O2S/c1-9(2)3-4-14(17(9,15)16)8-5-10(11,12)7-13-6-8/h8,13H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyHSHWZQCQYYJHCQ-MRVPVSSYSA-N
MW268.33 g/mol
LogP0.80
Rot. Bonds1

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

2-[(3R)-5,5-difluoropiperidin-3-yl]-5,5-dimethyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 171524069) has the molecular formula C10H18F2N2O2S and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[(3R)-5,5-difluoropiperidin-3-yl]-5,5-dimethyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(3R)-5,5-difluoropiperidin-3-yl]-5,5-dimethyl-1,2-thiazolidine 1,1-dioxide
PubChem CID171524069
Molecular FormulaC10H18F2N2O2S
Molecular Weight268.33 g/mol
Exact Mass268.11
IUPAC Name2-[(3R)-5,5-difluoropiperidin-3-yl]-5,5-dimethyl-1,2-thiazolidine 1,1-dioxide
SMILESCC1(C)CCN([C@H]2CNCC(F)(F)C2)S1(=O)=O
InChIInChI=1S/C10H18F2N2O2S/c1-9(2)3-4-14(17(9,15)16)8-5-10(11,12)7-13-6-8/h8,13H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyHSHWZQCQYYJHCQ-MRVPVSSYSA-N
XLogP0.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-5,5-difluoropiperidin-3-yl]-5,5-dimethyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[(3R)-5,5-difluoropiperidin-3-yl]-5,5-dimethyl-1,2-thiazolidine 1,1-dioxide (CID 171524069) is 2-[(3R)-5,5-difluoropiperidin-3-yl]-5,5-dimethyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(3R)-5,5-difluoropiperidin-3-yl]-5,5-dimethyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(3R)-5,5-difluoropiperidin-3-yl]-5,5-dimethyl-1,2-thiazolidine 1,1-dioxide is CC1(C)CCN([C@H]2CNCC(F)(F)C2)S1(=O)=O.
What is the InChIKey of 2-[(3R)-5,5-difluoropiperidin-3-yl]-5,5-dimethyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is HSHWZQCQYYJHCQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18F2N2O2S/c1-9(2)3-4-14(17(9,15)16)8-5-10(11,12)7-13-6-8/h8,13H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of 2-[(3R)-5,5-difluoropiperidin-3-yl]-5,5-dimethyl-1,2-thiazolidine 1,1-dioxide?
2-[(3R)-5,5-difluoropiperidin-3-yl]-5,5-dimethyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 268.33 g/mol, XLogP of 0.80, 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]-5,5-dimethyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 171524069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).