5-ethyl-2,2,5-trimethyl-1-(3-methylsulfonylpropyl)piperazine

C13H28N2O2S — CID 64849852

IUPAC5-ethyl-2,2,5-trimethyl-1-(3-methylsulfonylpropyl)piperazine
SMILESCCC1(C)CN(CCCS(C)(=O)=O)C(C)(C)CN1
InChIInChI=1S/C13H28N2O2S/c1-6-13(4)11-15(12(2,3)10-14-13)8-7-9-18(5,16)17/h14H,6-11H2,1-5H3
InChIKeyRLRISYXKKIPVTP-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.27
Rot. Bonds5

About 5-ethyl-2,2,5-trimethyl-1-(3-methylsulfonylpropyl)piperazine

5-ethyl-2,2,5-trimethyl-1-(3-methylsulfonylpropyl)piperazine (PubChem CID 64849852) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 5-ethyl-2,2,5-trimethyl-1-(3-methylsulfonylpropyl)piperazine.

Molecular Properties

Compound Name5-ethyl-2,2,5-trimethyl-1-(3-methylsulfonylpropyl)piperazine
PubChem CID64849852
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name5-ethyl-2,2,5-trimethyl-1-(3-methylsulfonylpropyl)piperazine
SMILESCCC1(C)CN(CCCS(C)(=O)=O)C(C)(C)CN1
InChIInChI=1S/C13H28N2O2S/c1-6-13(4)11-15(12(2,3)10-14-13)8-7-9-18(5,16)17/h14H,6-11H2,1-5H3
InChIKeyRLRISYXKKIPVTP-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,2,5-trimethyl-1-(3-methylsulfonylpropyl)piperazine?
The IUPAC name of 5-ethyl-2,2,5-trimethyl-1-(3-methylsulfonylpropyl)piperazine (CID 64849852) is 5-ethyl-2,2,5-trimethyl-1-(3-methylsulfonylpropyl)piperazine.
What is the SMILES notation for 5-ethyl-2,2,5-trimethyl-1-(3-methylsulfonylpropyl)piperazine?
The canonical SMILES for 5-ethyl-2,2,5-trimethyl-1-(3-methylsulfonylpropyl)piperazine is CCC1(C)CN(CCCS(C)(=O)=O)C(C)(C)CN1.
What is the InChIKey of 5-ethyl-2,2,5-trimethyl-1-(3-methylsulfonylpropyl)piperazine?
The InChIKey is RLRISYXKKIPVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-6-13(4)11-15(12(2,3)10-14-13)8-7-9-18(5,16)17/h14H,6-11H2,1-5H3.
What are the key properties of 5-ethyl-2,2,5-trimethyl-1-(3-methylsulfonylpropyl)piperazine?
5-ethyl-2,2,5-trimethyl-1-(3-methylsulfonylpropyl)piperazine has a molecular weight of 276.45 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,2,5-trimethyl-1-(3-methylsulfonylpropyl)piperazine is sourced from PubChem (CID 64849852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).