2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine

C11H21F3N2S — CID 116627379

IUPAC2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCC(C)C1CN(CCSC(F)(F)F)C(C)CN1
InChIInChI=1S/C11H21F3N2S/c1-8(2)10-7-16(9(3)6-15-10)4-5-17-11(12,13)14/h8-10,15H,4-7H2,1-3H3
InChIKeyHMISCCYYMHVDIY-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.56
Rot. Bonds4

About 2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine

2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (PubChem CID 116627379) has the molecular formula C11H21F3N2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
PubChem CID116627379
Molecular FormulaC11H21F3N2S
Molecular Weight270.36 g/mol
Exact Mass270.14
IUPAC Name2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCC(C)C1CN(CCSC(F)(F)F)C(C)CN1
InChIInChI=1S/C11H21F3N2S/c1-8(2)10-7-16(9(3)6-15-10)4-5-17-11(12,13)14/h8-10,15H,4-7H2,1-3H3
InChIKeyHMISCCYYMHVDIY-UHFFFAOYSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The IUPAC name of 2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (CID 116627379) is 2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.
What is the SMILES notation for 2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The canonical SMILES for 2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is CC(C)C1CN(CCSC(F)(F)F)C(C)CN1.
What is the InChIKey of 2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The InChIKey is HMISCCYYMHVDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2S/c1-8(2)10-7-16(9(3)6-15-10)4-5-17-11(12,13)14/h8-10,15H,4-7H2,1-3H3.
What are the key properties of 2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine has a molecular weight of 270.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is sourced from PubChem (CID 116627379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).