1-(thiolan-2-ylmethyl)-2-(trifluoromethyl)piperazine

C10H17F3N2S — CID 115101293

IUPAC1-(thiolan-2-ylmethyl)-2-(trifluoromethyl)piperazine
SMILESFC(F)(F)C1CNCCN1CC1CCCS1
InChIInChI=1S/C10H17F3N2S/c11-10(12,13)9-6-14-3-4-15(9)7-8-2-1-5-16-8/h8-9,14H,1-7H2
InChIKeyKZDCGNZWHNTTDE-UHFFFAOYSA-N
MW254.32 g/mol
LogP1.72
Rot. Bonds2

About 1-(thiolan-2-ylmethyl)-2-(trifluoromethyl)piperazine

1-(thiolan-2-ylmethyl)-2-(trifluoromethyl)piperazine (PubChem CID 115101293) has the molecular formula C10H17F3N2S and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-(thiolan-2-ylmethyl)-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-(thiolan-2-ylmethyl)-2-(trifluoromethyl)piperazine
PubChem CID115101293
Molecular FormulaC10H17F3N2S
Molecular Weight254.32 g/mol
Exact Mass254.11
IUPAC Name1-(thiolan-2-ylmethyl)-2-(trifluoromethyl)piperazine
SMILESFC(F)(F)C1CNCCN1CC1CCCS1
InChIInChI=1S/C10H17F3N2S/c11-10(12,13)9-6-14-3-4-15(9)7-8-2-1-5-16-8/h8-9,14H,1-7H2
InChIKeyKZDCGNZWHNTTDE-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine
CID 134514969
[3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine
CID 43173289
4-Methylsulfanyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine
CID 60810555
1,1,1-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)pentane-2,3-diamine
CID 61647857
1,1,1-Trifluoro-2-thiomorpholin-4-ylpentan-3-amine
CID 61647963
2-thiomorpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62558863
N'-methyl-N'-(thiolan-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62559627
2-N-methyl-2-N-(thiolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62568969
N-(3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63983391
1,1,1-Trifluoro-2-(3-methylthiomorpholin-4-yl)pentan-3-amine
CID 64039717
4,4,4-Trifluoro-3-(3-methylthiomorpholin-4-yl)butan-2-amine
CID 64040126
2-(3-methylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 64052633

Frequently Asked Questions

What is the IUPAC name of 1-(thiolan-2-ylmethyl)-2-(trifluoromethyl)piperazine?
The IUPAC name of 1-(thiolan-2-ylmethyl)-2-(trifluoromethyl)piperazine (CID 115101293) is 1-(thiolan-2-ylmethyl)-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-(thiolan-2-ylmethyl)-2-(trifluoromethyl)piperazine?
The canonical SMILES for 1-(thiolan-2-ylmethyl)-2-(trifluoromethyl)piperazine is FC(F)(F)C1CNCCN1CC1CCCS1.
What is the InChIKey of 1-(thiolan-2-ylmethyl)-2-(trifluoromethyl)piperazine?
The InChIKey is KZDCGNZWHNTTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2S/c11-10(12,13)9-6-14-3-4-15(9)7-8-2-1-5-16-8/h8-9,14H,1-7H2.
What are the key properties of 1-(thiolan-2-ylmethyl)-2-(trifluoromethyl)piperazine?
1-(thiolan-2-ylmethyl)-2-(trifluoromethyl)piperazine has a molecular weight of 254.32 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiolan-2-ylmethyl)-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 115101293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).