3-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]thiolane 1,1-dioxide

C20H25F3N2O3S — CID 126952684

IUPAC3-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(CN2CCC(Oc3cccc4c3ccn4CC(F)(F)F)CC2)C1
InChIInChI=1S/C20H25F3N2O3S/c21-20(22,23)14-25-10-6-17-18(25)2-1-3-19(17)28-16-4-8-24(9-5-16)12-15-7-11-29(26,27)13-15/h1-3,6,10,15-16H,4-5,7-9,11-14H2
InChIKeyFZIAEPWZIZPQCU-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.48
Rot. Bonds5

About 3-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]thiolane 1,1-dioxide

3-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]thiolane 1,1-dioxide (PubChem CID 126952684) has the molecular formula C20H25F3N2O3S and a molecular weight of 430.49 g/mol. Its IUPAC name is 3-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]thiolane 1,1-dioxide
PubChem CID126952684
Molecular FormulaC20H25F3N2O3S
Molecular Weight430.49 g/mol
Exact Mass430.15
IUPAC Name3-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(CN2CCC(Oc3cccc4c3ccn4CC(F)(F)F)CC2)C1
InChIInChI=1S/C20H25F3N2O3S/c21-20(22,23)14-25-10-6-17-18(25)2-1-3-19(17)28-16-4-8-24(9-5-16)12-15-7-11-29(26,27)13-15/h1-3,6,10,15-16H,4-5,7-9,11-14H2
InChIKeyFZIAEPWZIZPQCU-UHFFFAOYSA-N
XLogP3.48
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]thiolane 1,1-dioxide with MolForge

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Related Compounds

4-[1-(oxolan-2-ylmethyl)piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole
CID 126952690
2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]cyclohexan-1-ol
CID 126952712
1-[2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]ethyl]azepan-2-one
CID 126952666
4-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole
CID 126952652
1-methyl-6-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]pyrazin-2-one
CID 126952577
4-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole
CID 126952632
4-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole
CID 126952593
4-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]oxolan-3-ol
CID 126952711
1-[3-hydroxy-3-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone
CID 126952708
2-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 126952627
2-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole
CID 126952626
3-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 126952560

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]thiolane 1,1-dioxide?
The IUPAC name of 3-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]thiolane 1,1-dioxide (CID 126952684) is 3-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]thiolane 1,1-dioxide is O=S1(=O)CCC(CN2CCC(Oc3cccc4c3ccn4CC(F)(F)F)CC2)C1.
What is the InChIKey of 3-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]thiolane 1,1-dioxide?
The InChIKey is FZIAEPWZIZPQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O3S/c21-20(22,23)14-25-10-6-17-18(25)2-1-3-19(17)28-16-4-8-24(9-5-16)12-15-7-11-29(26,27)13-15/h1-3,6,10,15-16H,4-5,7-9,11-14H2.
What are the key properties of 3-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]thiolane 1,1-dioxide?
3-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]thiolane 1,1-dioxide has a molecular weight of 430.49 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 126952684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).