3-(3,3-difluoropiperidin-1-yl)thiolane 1,1-dioxide

C9H15F2NO2S — CID 117007672

IUPAC3-(3,3-difluoropiperidin-1-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(N2CCCC(F)(F)C2)C1
InChIInChI=1S/C9H15F2NO2S/c10-9(11)3-1-4-12(7-9)8-2-5-15(13,14)6-8/h8H,1-7H2
InChIKeyIHYPPFXYJDSINL-UHFFFAOYSA-N
MW239.29 g/mol
LogP0.90
Rot. Bonds1

About 3-(3,3-difluoropiperidin-1-yl)thiolane 1,1-dioxide

3-(3,3-difluoropiperidin-1-yl)thiolane 1,1-dioxide (PubChem CID 117007672) has the molecular formula C9H15F2NO2S and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-(3,3-difluoropiperidin-1-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(3,3-difluoropiperidin-1-yl)thiolane 1,1-dioxide
PubChem CID117007672
Molecular FormulaC9H15F2NO2S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC Name3-(3,3-difluoropiperidin-1-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(N2CCCC(F)(F)C2)C1
InChIInChI=1S/C9H15F2NO2S/c10-9(11)3-1-4-12(7-9)8-2-5-15(13,14)6-8/h8H,1-7H2
InChIKeyIHYPPFXYJDSINL-UHFFFAOYSA-N
XLogP0.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3,3-difluoropiperidin-1-yl)thiolane 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

Related Compounds

1-(1,1-Dioxidotetrahydro-3-thienyl)piperidine
CID 410105
4-(Methylsulfonyl)-1-(2,2,2-trifluoroethyl)piperidine
CID 121183069
4-Propan-2-yl-2-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide
CID 166955921
4-[(1S)-3,3-difluorocyclohexyl]sulfonyl-1-propan-2-ylpiperidine
CID 167027086
1,2-Dimethyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine
CID 167269182
3-(Piperidin-1-yl)tetrahydrothiophene 1,1-dioxide hydrochloride
CID 45148608
N-(1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43757115
1-Methanidyl-4-(trifluoromethylsulfonyl)piperidine
CID 57868236
N-(1,1-dioxothiolan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 64852772
1-Methyl-4-(trifluoromethylsulfonyl)piperidine
CID 76646789
N-[(1,1-dioxothiolan-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 81039060
1-[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexylsulfonyl)ethyl]piperidine
CID 101424712

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoropiperidin-1-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(3,3-difluoropiperidin-1-yl)thiolane 1,1-dioxide (CID 117007672) is 3-(3,3-difluoropiperidin-1-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(3,3-difluoropiperidin-1-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(3,3-difluoropiperidin-1-yl)thiolane 1,1-dioxide is O=S1(=O)CCC(N2CCCC(F)(F)C2)C1.
What is the InChIKey of 3-(3,3-difluoropiperidin-1-yl)thiolane 1,1-dioxide?
The InChIKey is IHYPPFXYJDSINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2S/c10-9(11)3-1-4-12(7-9)8-2-5-15(13,14)6-8/h8H,1-7H2.
What are the key properties of 3-(3,3-difluoropiperidin-1-yl)thiolane 1,1-dioxide?
3-(3,3-difluoropiperidin-1-yl)thiolane 1,1-dioxide has a molecular weight of 239.29 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoropiperidin-1-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 117007672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).