2,5,5-triethyl-1-(2-methylsulfonylethyl)piperazine

C13H28N2O2S — CID 64861002

IUPAC2,5,5-triethyl-1-(2-methylsulfonylethyl)piperazine
SMILESCCC1CNC(CC)(CC)CN1CCS(C)(=O)=O
InChIInChI=1S/C13H28N2O2S/c1-5-12-10-14-13(6-2,7-3)11-15(12)8-9-18(4,16)17/h12,14H,5-11H2,1-4H3
InChIKeyZWFUUYYWYCNDOW-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.27
Rot. Bonds6

About 2,5,5-triethyl-1-(2-methylsulfonylethyl)piperazine

2,5,5-triethyl-1-(2-methylsulfonylethyl)piperazine (PubChem CID 64861002) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 2,5,5-triethyl-1-(2-methylsulfonylethyl)piperazine.

Molecular Properties

Compound Name2,5,5-triethyl-1-(2-methylsulfonylethyl)piperazine
PubChem CID64861002
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name2,5,5-triethyl-1-(2-methylsulfonylethyl)piperazine
SMILESCCC1CNC(CC)(CC)CN1CCS(C)(=O)=O
InChIInChI=1S/C13H28N2O2S/c1-5-12-10-14-13(6-2,7-3)11-15(12)8-9-18(4,16)17/h12,14H,5-11H2,1-4H3
InChIKeyZWFUUYYWYCNDOW-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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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Related Compounds

5,5-diethyl-2-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
CID 64860633
5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine
CID 64860997
5,5-diethyl-2-propyl-1-(2-propylsulfonylethyl)piperazine
CID 106733240
2,5,5-triethyl-1-methylpiperazine
CID 64859654
2,5,5-triethyl-1-prop-2-ynylpiperazine
CID 64933788
3-ethyl-4-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 106733186
2,5,5-triethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64862344
1-[2-(cyclopenten-1-yl)ethyl]-2,5,5-triethylpiperazine
CID 106172740
2,5,5-triethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
CID 64862346
2-cyclopropyl-5,5-diethyl-1-(2-propylsulfonylethyl)piperazine
CID 106733248
3,3-diethyl-7-methyl-1-(3-methylsulfonylpropyl)-1,4-diazepane
CID 64871817
3-[(2,5,5-triethylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 64947359

Frequently Asked Questions

What is the IUPAC name of 2,5,5-triethyl-1-(2-methylsulfonylethyl)piperazine?
The IUPAC name of 2,5,5-triethyl-1-(2-methylsulfonylethyl)piperazine (CID 64861002) is 2,5,5-triethyl-1-(2-methylsulfonylethyl)piperazine.
What is the SMILES notation for 2,5,5-triethyl-1-(2-methylsulfonylethyl)piperazine?
The canonical SMILES for 2,5,5-triethyl-1-(2-methylsulfonylethyl)piperazine is CCC1CNC(CC)(CC)CN1CCS(C)(=O)=O.
What is the InChIKey of 2,5,5-triethyl-1-(2-methylsulfonylethyl)piperazine?
The InChIKey is ZWFUUYYWYCNDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-5-12-10-14-13(6-2,7-3)11-15(12)8-9-18(4,16)17/h12,14H,5-11H2,1-4H3.
What are the key properties of 2,5,5-triethyl-1-(2-methylsulfonylethyl)piperazine?
2,5,5-triethyl-1-(2-methylsulfonylethyl)piperazine has a molecular weight of 276.45 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-triethyl-1-(2-methylsulfonylethyl)piperazine is sourced from PubChem (CID 64861002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).