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

C9H16F2N2O2S — CID 171523824

IUPAC2-(5,5-difluoropiperidin-3-yl)-5-methyl-1,2-thiazolidine 1,1-dioxide
SMILESCC1CCN(C2CNCC(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
InChIKeyFXOBODCMJUCSEC-UHFFFAOYSA-N
MW254.30 g/mol
LogP0.41
Rot. Bonds1

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

2-(5,5-difluoropiperidin-3-yl)-5-methyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 171523824) has the molecular formula C9H16F2N2O2S and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-(5,5-difluoropiperidin-3-yl)-5-methyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(5,5-difluoropiperidin-3-yl)-5-methyl-1,2-thiazolidine 1,1-dioxide
PubChem CID171523824
Molecular FormulaC9H16F2N2O2S
Molecular Weight254.30 g/mol
Exact Mass254.09
IUPAC Name2-(5,5-difluoropiperidin-3-yl)-5-methyl-1,2-thiazolidine 1,1-dioxide
SMILESCC1CCN(C2CNCC(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
InChIKeyFXOBODCMJUCSEC-UHFFFAOYSA-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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Related Compounds

2-(Piperidin-4-yl)-1lambda6,2-thiazolidine-1,1-dione
CID 53256087
N-(piperidin-3-yl)ethane-1-sulfonamide
CID 18069591
N,N-dimethyl-2-(piperidin-3-ylamino)ethanesulfonamide
CID 56700520
4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butane-1-sulfonamide
CID 113902909
2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanesulfonamide
CID 59651766
2-Amino-ethanesulfonic acid (1-isopropyl-piperidin-4-yl)-(2,2,2-trifluoro-ethyl)-amide
CID 66625054
2,2,2-trifluoro-N-(3-piperidyl)ethanesulfonamide
CID 89928251
(3R)-1-(difluoromethylsulfonyl)-N-methylpiperidin-3-amine
CID 94475990
1-(Ethylsulfonyl)-3-(trifluoromethyl)piperazine
CID 137518925
3-(1,1-Difluoroethyl)-1-ethylsulfonylpiperazine
CID 137536927
8-(2,2,2-Trifluoroethylsulfonyl)-3,8-diazabicyclo[3.2.1]octane
CID 139490346
Ethane;8-(3,3,3-trifluoropropylsulfonyl)-3,8-diazabicyclo[3.2.1]octane
CID 145332396

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-difluoropiperidin-3-yl)-5-methyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(5,5-difluoropiperidin-3-yl)-5-methyl-1,2-thiazolidine 1,1-dioxide (CID 171523824) is 2-(5,5-difluoropiperidin-3-yl)-5-methyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(5,5-difluoropiperidin-3-yl)-5-methyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(5,5-difluoropiperidin-3-yl)-5-methyl-1,2-thiazolidine 1,1-dioxide is CC1CCN(C2CNCC(F)(F)C2)S1(=O)=O.
What is the InChIKey of 2-(5,5-difluoropiperidin-3-yl)-5-methyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is FXOBODCMJUCSEC-UHFFFAOYSA-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.
What are the key properties of 2-(5,5-difluoropiperidin-3-yl)-5-methyl-1,2-thiazolidine 1,1-dioxide?
2-(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-(5,5-difluoropiperidin-3-yl)-5-methyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 171523824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).