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

C13H28N2O2S — CID 64843827

IUPAC2,2-diethyl-5,5-dimethyl-1-(2-methylsulfonylethyl)piperazine
SMILESCCC1(CC)CNC(C)(C)CN1CCS(C)(=O)=O
InChIInChI=1S/C13H28N2O2S/c1-6-13(7-2)10-14-12(3,4)11-15(13)8-9-18(5,16)17/h14H,6-11H2,1-5H3
InChIKeyICCRZQRRGNYBIE-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.27
Rot. Bonds5

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

2,2-diethyl-5,5-dimethyl-1-(2-methylsulfonylethyl)piperazine (PubChem CID 64843827) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 2,2-diethyl-5,5-dimethyl-1-(2-methylsulfonylethyl)piperazine.

Molecular Properties

Compound Name2,2-diethyl-5,5-dimethyl-1-(2-methylsulfonylethyl)piperazine
PubChem CID64843827
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name2,2-diethyl-5,5-dimethyl-1-(2-methylsulfonylethyl)piperazine
SMILESCCC1(CC)CNC(C)(C)CN1CCS(C)(=O)=O
InChIInChI=1S/C13H28N2O2S/c1-6-13(7-2)10-14-12(3,4)11-15(13)8-9-18(5,16)17/h14H,6-11H2,1-5H3
InChIKeyICCRZQRRGNYBIE-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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Related Compounds

N-(2-methylsulfonylethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]ethanamine
CID 65531142
2,2-Diethylthiomorpholine 1,1-dioxide
CID 75478255
1-(2-aminoethylsulfonyl)-N,4-dimethylpiperidin-3-amine
CID 21983828
N,4-dimethyl-1-propylsulfonylpiperidin-3-amine
CID 21983832
1-(Ethylsulfonyl)-N,4-dimethylpiperidin-3-amine
CID 21983834
1-butylsulfonyl-N,4-dimethylpiperidin-3-amine
CID 21983835
N,4-dimethyl-1-[2-(methylamino)ethylsulfonyl]piperidin-3-amine
CID 21983847
4-(1-Amino-2-methylpropan-2-yl)thiomorpholine 1,1-dioxide
CID 43581323
1-(3-(Methylsulfonyl)propyl)piperazine
CID 49853478
2-Methyl-2-piperazin-1-ylpropane-1-sulfonamide
CID 57056991
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropan-2-amine
CID 59472435
2,2-Dimethyl-1-(2-(methylsulfonyl)ethyl)piperazine
CID 59606088

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-5,5-dimethyl-1-(2-methylsulfonylethyl)piperazine?
The IUPAC name of 2,2-diethyl-5,5-dimethyl-1-(2-methylsulfonylethyl)piperazine (CID 64843827) is 2,2-diethyl-5,5-dimethyl-1-(2-methylsulfonylethyl)piperazine.
What is the SMILES notation for 2,2-diethyl-5,5-dimethyl-1-(2-methylsulfonylethyl)piperazine?
The canonical SMILES for 2,2-diethyl-5,5-dimethyl-1-(2-methylsulfonylethyl)piperazine is CCC1(CC)CNC(C)(C)CN1CCS(C)(=O)=O.
What is the InChIKey of 2,2-diethyl-5,5-dimethyl-1-(2-methylsulfonylethyl)piperazine?
The InChIKey is ICCRZQRRGNYBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-6-13(7-2)10-14-12(3,4)11-15(13)8-9-18(5,16)17/h14H,6-11H2,1-5H3.
What are the key properties of 2,2-diethyl-5,5-dimethyl-1-(2-methylsulfonylethyl)piperazine?
2,2-diethyl-5,5-dimethyl-1-(2-methylsulfonylethyl)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 2,2-diethyl-5,5-dimethyl-1-(2-methylsulfonylethyl)piperazine is sourced from PubChem (CID 64843827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).