2-ethyl-2-methyl-5-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine

C15H32N2O2S — CID 64848952

IUPAC2-ethyl-2-methyl-5-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine
SMILESCCC1(C)CNC(CC(C)C)CN1CCCS(C)(=O)=O
InChIInChI=1S/C15H32N2O2S/c1-6-15(4)12-16-14(10-13(2)3)11-17(15)8-7-9-20(5,18)19/h13-14,16H,6-12H2,1-5H3
InChIKeySRHSUFCJLYURQK-UHFFFAOYSA-N
MW304.50 g/mol
LogP1.91
Rot. Bonds7

About 2-ethyl-2-methyl-5-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine

2-ethyl-2-methyl-5-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine (PubChem CID 64848952) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 2-ethyl-2-methyl-5-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine.

Molecular Properties

Compound Name2-ethyl-2-methyl-5-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine
PubChem CID64848952
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC Name2-ethyl-2-methyl-5-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine
SMILESCCC1(C)CNC(CC(C)C)CN1CCCS(C)(=O)=O
InChIInChI=1S/C15H32N2O2S/c1-6-15(4)12-16-14(10-13(2)3)11-17(15)8-7-9-20(5,18)19/h13-14,16H,6-12H2,1-5H3
InChIKeySRHSUFCJLYURQK-UHFFFAOYSA-N
XLogP1.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-5-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine?
The IUPAC name of 2-ethyl-2-methyl-5-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine (CID 64848952) is 2-ethyl-2-methyl-5-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine.
What is the SMILES notation for 2-ethyl-2-methyl-5-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine?
The canonical SMILES for 2-ethyl-2-methyl-5-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine is CCC1(C)CNC(CC(C)C)CN1CCCS(C)(=O)=O.
What is the InChIKey of 2-ethyl-2-methyl-5-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine?
The InChIKey is SRHSUFCJLYURQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-6-15(4)12-16-14(10-13(2)3)11-17(15)8-7-9-20(5,18)19/h13-14,16H,6-12H2,1-5H3.
What are the key properties of 2-ethyl-2-methyl-5-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine?
2-ethyl-2-methyl-5-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine has a molecular weight of 304.50 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-5-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine is sourced from PubChem (CID 64848952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).