2,5-ditert-butyl-1-(2-methylsulfanylethyl)piperazine

C15H32N2S — CID 113474527

IUPAC2,5-ditert-butyl-1-(2-methylsulfanylethyl)piperazine
SMILESCSCCN1CC(C(C)(C)C)NCC1C(C)(C)C
InChIInChI=1S/C15H32N2S/c1-14(2,3)12-11-17(8-9-18-7)13(10-16-12)15(4,5)6/h12-13,16H,8-11H2,1-7H3
InChIKeyYLXYHSALYXVNPU-UHFFFAOYSA-N
MW272.50 g/mol
LogP3.08
Rot. Bonds3

About 2,5-ditert-butyl-1-(2-methylsulfanylethyl)piperazine

2,5-ditert-butyl-1-(2-methylsulfanylethyl)piperazine (PubChem CID 113474527) has the molecular formula C15H32N2S and a molecular weight of 272.50 g/mol. Its IUPAC name is 2,5-ditert-butyl-1-(2-methylsulfanylethyl)piperazine.

Molecular Properties

Compound Name2,5-ditert-butyl-1-(2-methylsulfanylethyl)piperazine
PubChem CID113474527
Molecular FormulaC15H32N2S
Molecular Weight272.50 g/mol
Exact Mass272.23
IUPAC Name2,5-ditert-butyl-1-(2-methylsulfanylethyl)piperazine
SMILESCSCCN1CC(C(C)(C)C)NCC1C(C)(C)C
InChIInChI=1S/C15H32N2S/c1-14(2,3)12-11-17(8-9-18-7)13(10-16-12)15(4,5)6/h12-13,16H,8-11H2,1-7H3
InChIKeyYLXYHSALYXVNPU-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-1-(2-methylsulfanylethyl)piperazine?
The IUPAC name of 2,5-ditert-butyl-1-(2-methylsulfanylethyl)piperazine (CID 113474527) is 2,5-ditert-butyl-1-(2-methylsulfanylethyl)piperazine.
What is the SMILES notation for 2,5-ditert-butyl-1-(2-methylsulfanylethyl)piperazine?
The canonical SMILES for 2,5-ditert-butyl-1-(2-methylsulfanylethyl)piperazine is CSCCN1CC(C(C)(C)C)NCC1C(C)(C)C.
What is the InChIKey of 2,5-ditert-butyl-1-(2-methylsulfanylethyl)piperazine?
The InChIKey is YLXYHSALYXVNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2S/c1-14(2,3)12-11-17(8-9-18-7)13(10-16-12)15(4,5)6/h12-13,16H,8-11H2,1-7H3.
What are the key properties of 2,5-ditert-butyl-1-(2-methylsulfanylethyl)piperazine?
2,5-ditert-butyl-1-(2-methylsulfanylethyl)piperazine has a molecular weight of 272.50 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-1-(2-methylsulfanylethyl)piperazine is sourced from PubChem (CID 113474527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).