2-[2-(trifluoromethyl)piperazin-1-yl]thiane 1,1-dioxide

C10H17F3N2O2S — CID 115101285

IUPAC2-[2-(trifluoromethyl)piperazin-1-yl]thiane 1,1-dioxide
SMILESO=S1(=O)CCCCC1N1CCNCC1C(F)(F)F
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)8-7-14-4-5-15(8)9-3-1-2-6-18(9,16)17/h8-9,14H,1-7H2
InChIKeyZYROSBQGFZTDKD-UHFFFAOYSA-N
MW286.32 g/mol
LogP0.75
Rot. Bonds1

About 2-[2-(trifluoromethyl)piperazin-1-yl]thiane 1,1-dioxide

2-[2-(trifluoromethyl)piperazin-1-yl]thiane 1,1-dioxide (PubChem CID 115101285) has the molecular formula C10H17F3N2O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)piperazin-1-yl]thiane 1,1-dioxide.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)piperazin-1-yl]thiane 1,1-dioxide
PubChem CID115101285
Molecular FormulaC10H17F3N2O2S
Molecular Weight286.32 g/mol
Exact Mass286.10
IUPAC Name2-[2-(trifluoromethyl)piperazin-1-yl]thiane 1,1-dioxide
SMILESO=S1(=O)CCCCC1N1CCNCC1C(F)(F)F
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)8-7-14-4-5-15(8)9-3-1-2-6-18(9,16)17/h8-9,14H,1-7H2
InChIKeyZYROSBQGFZTDKD-UHFFFAOYSA-N
XLogP0.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-2-(trifluoromethyl)piperazine
CID 115101350
1-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)piperazine
CID 115101253
3-[2-(trifluoromethyl)-1,4-diazepan-1-yl]thiane 1,1-dioxide
CID 115101656
1-(1-propan-2-ylpiperidin-2-yl)-2-(trifluoromethyl)piperazine
CID 115101290
cyclohexyl-[(2S)-2-(trifluoromethyl)piperazin-1-yl]methanone
CID 167011796
3-[[2-(trifluoromethyl)piperazin-1-yl]methyl]thiolane 1,1-dioxide
CID 115101257
1-(1-methylpyrrolidin-2-yl)-2-(trifluoromethyl)-1,4-diazepane
CID 115101666
2-tert-butyl-1-cyclopentylpiperazine
CID 82936671
1-(1,1-dioxothian-2-yl)-3-methylpiperazin-2-one
CID 115101924
1-[2-(trifluoromethyl)piperazin-1-yl]ethanone
CID 58542246
2-(piperazin-1-ylmethyl)thiane 1,1-dioxide
CID 104519129
2-hydroxy-1-[(2S)-2-(trifluoromethyl)piperazin-1-yl]ethanone
CID 175896251

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)piperazin-1-yl]thiane 1,1-dioxide?
The IUPAC name of 2-[2-(trifluoromethyl)piperazin-1-yl]thiane 1,1-dioxide (CID 115101285) is 2-[2-(trifluoromethyl)piperazin-1-yl]thiane 1,1-dioxide.
What is the SMILES notation for 2-[2-(trifluoromethyl)piperazin-1-yl]thiane 1,1-dioxide?
The canonical SMILES for 2-[2-(trifluoromethyl)piperazin-1-yl]thiane 1,1-dioxide is O=S1(=O)CCCCC1N1CCNCC1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)piperazin-1-yl]thiane 1,1-dioxide?
The InChIKey is ZYROSBQGFZTDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2S/c11-10(12,13)8-7-14-4-5-15(8)9-3-1-2-6-18(9,16)17/h8-9,14H,1-7H2.
What are the key properties of 2-[2-(trifluoromethyl)piperazin-1-yl]thiane 1,1-dioxide?
2-[2-(trifluoromethyl)piperazin-1-yl]thiane 1,1-dioxide has a molecular weight of 286.32 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)piperazin-1-yl]thiane 1,1-dioxide is sourced from PubChem (CID 115101285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).