1-(2-ethylsulfonylethyl)-5-methyl-2-(2-methylpropyl)piperazine

C13H28N2O2S — CID 106732837

IUPAC1-(2-ethylsulfonylethyl)-5-methyl-2-(2-methylpropyl)piperazine
SMILESCCS(=O)(=O)CCN1CC(C)NCC1CC(C)C
InChIInChI=1S/C13H28N2O2S/c1-5-18(16,17)7-6-15-10-12(4)14-9-13(15)8-11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyHWWYSCKPFWFLBV-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.13
Rot. Bonds6

About 1-(2-ethylsulfonylethyl)-5-methyl-2-(2-methylpropyl)piperazine

1-(2-ethylsulfonylethyl)-5-methyl-2-(2-methylpropyl)piperazine (PubChem CID 106732837) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethyl)-5-methyl-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(2-ethylsulfonylethyl)-5-methyl-2-(2-methylpropyl)piperazine
PubChem CID106732837
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name1-(2-ethylsulfonylethyl)-5-methyl-2-(2-methylpropyl)piperazine
SMILESCCS(=O)(=O)CCN1CC(C)NCC1CC(C)C
InChIInChI=1S/C13H28N2O2S/c1-5-18(16,17)7-6-15-10-12(4)14-9-13(15)8-11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyHWWYSCKPFWFLBV-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 64845397
5-ethyl-1-(3-ethylsulfonylpropyl)-2-(2-methylpropyl)piperazine
CID 65096899
5-ethyl-2-(2-methylpropyl)-1-(2-propylsulfonylethyl)piperazine
CID 106732985
5-methyl-2-(2-methylpropyl)-1-(2-piperidin-1-ylethyl)piperazine
CID 82247109
2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
CID 64849321
5-methyl-2-(2-methylpropyl)-1-(2-pyrazol-1-ylethyl)piperazine
CID 64845781
2-butan-2-yl-5-methyl-1-(2-propylsulfonylethyl)piperazine
CID 106732802
2-(2-methylpropyl)-1-(2-propan-2-ylsulfonylethyl)-5-propylpiperazine
CID 106732868
2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine
CID 65097214
1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine
CID 65098411
5-methyl-2-(2-methylpropyl)-1-(3-phenylpropyl)piperazine
CID 64845965
1-(3-chloro-2-methylprop-2-enyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 106440350

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethyl)-5-methyl-2-(2-methylpropyl)piperazine?
The IUPAC name of 1-(2-ethylsulfonylethyl)-5-methyl-2-(2-methylpropyl)piperazine (CID 106732837) is 1-(2-ethylsulfonylethyl)-5-methyl-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(2-ethylsulfonylethyl)-5-methyl-2-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(2-ethylsulfonylethyl)-5-methyl-2-(2-methylpropyl)piperazine is CCS(=O)(=O)CCN1CC(C)NCC1CC(C)C.
What is the InChIKey of 1-(2-ethylsulfonylethyl)-5-methyl-2-(2-methylpropyl)piperazine?
The InChIKey is HWWYSCKPFWFLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-5-18(16,17)7-6-15-10-12(4)14-9-13(15)8-11(2)3/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-(2-ethylsulfonylethyl)-5-methyl-2-(2-methylpropyl)piperazine?
1-(2-ethylsulfonylethyl)-5-methyl-2-(2-methylpropyl)piperazine has a molecular weight of 276.45 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethyl)-5-methyl-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 106732837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).