2-cyclopropyl-2-methyl-5-(2-methylpropyl)-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine

C15H27F3N2S — CID 116627481

IUPAC2-cyclopropyl-2-methyl-5-(2-methylpropyl)-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCC(C)CC1CN(CCSC(F)(F)F)C(C)(C2CC2)CN1
InChIInChI=1S/C15H27F3N2S/c1-11(2)8-13-9-20(6-7-21-15(16,17)18)14(3,10-19-13)12-4-5-12/h11-13,19H,4-10H2,1-3H3
InChIKeyCTKAWJXAYWLGIH-UHFFFAOYSA-N
MW324.46 g/mol
LogP3.73
Rot. Bonds6

About 2-cyclopropyl-2-methyl-5-(2-methylpropyl)-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine

2-cyclopropyl-2-methyl-5-(2-methylpropyl)-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (PubChem CID 116627481) has the molecular formula C15H27F3N2S and a molecular weight of 324.46 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-5-(2-methylpropyl)-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-5-(2-methylpropyl)-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
PubChem CID116627481
Molecular FormulaC15H27F3N2S
Molecular Weight324.46 g/mol
Exact Mass324.18
IUPAC Name2-cyclopropyl-2-methyl-5-(2-methylpropyl)-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCC(C)CC1CN(CCSC(F)(F)F)C(C)(C2CC2)CN1
InChIInChI=1S/C15H27F3N2S/c1-11(2)8-13-9-20(6-7-21-15(16,17)18)14(3,10-19-13)12-4-5-12/h11-13,19H,4-10H2,1-3H3
InChIKeyCTKAWJXAYWLGIH-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-5-(2-methylpropyl)-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The IUPAC name of 2-cyclopropyl-2-methyl-5-(2-methylpropyl)-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (CID 116627481) is 2-cyclopropyl-2-methyl-5-(2-methylpropyl)-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.
What is the SMILES notation for 2-cyclopropyl-2-methyl-5-(2-methylpropyl)-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The canonical SMILES for 2-cyclopropyl-2-methyl-5-(2-methylpropyl)-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is CC(C)CC1CN(CCSC(F)(F)F)C(C)(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-2-methyl-5-(2-methylpropyl)-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The InChIKey is CTKAWJXAYWLGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2S/c1-11(2)8-13-9-20(6-7-21-15(16,17)18)14(3,10-19-13)12-4-5-12/h11-13,19H,4-10H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-methyl-5-(2-methylpropyl)-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
2-cyclopropyl-2-methyl-5-(2-methylpropyl)-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine has a molecular weight of 324.46 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-5-(2-methylpropyl)-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is sourced from PubChem (CID 116627481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).