5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine

C12H26N2O2S — CID 64860997

IUPAC5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine
SMILESCCC1(CC)CN(CCS(C)(=O)=O)C(C)CN1
InChIInChI=1S/C12H26N2O2S/c1-5-12(6-2)10-14(11(3)9-13-12)7-8-17(4,15)16/h11,13H,5-10H2,1-4H3
InChIKeyBQVQGGUTHVLVJU-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.88
Rot. Bonds5

About 5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine

5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine (PubChem CID 64860997) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine.

Molecular Properties

Compound Name5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine
PubChem CID64860997
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine
SMILESCCC1(CC)CN(CCS(C)(=O)=O)C(C)CN1
InChIInChI=1S/C12H26N2O2S/c1-5-12(6-2)10-14(11(3)9-13-12)7-8-17(4,15)16/h11,13H,5-10H2,1-4H3
InChIKeyBQVQGGUTHVLVJU-UHFFFAOYSA-N
XLogP0.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine?
The IUPAC name of 5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine (CID 64860997) is 5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine.
What is the SMILES notation for 5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine?
The canonical SMILES for 5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine is CCC1(CC)CN(CCS(C)(=O)=O)C(C)CN1.
What is the InChIKey of 5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine?
The InChIKey is BQVQGGUTHVLVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-5-12(6-2)10-14(11(3)9-13-12)7-8-17(4,15)16/h11,13H,5-10H2,1-4H3.
What are the key properties of 5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine?
5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine has a molecular weight of 262.42 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine is sourced from PubChem (CID 64860997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).