2,2-dimethyl-4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine

C13H28N2O2S — CID 59603416

IUPAC2,2-dimethyl-4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
SMILESCC(C)CN1CCN(CCS(C)(=O)=O)C(C)(C)C1
InChIInChI=1S/C13H28N2O2S/c1-12(2)10-14-6-7-15(13(3,4)11-14)8-9-18(5,16)17/h12H,6-11H2,1-5H3
InChIKeyOTJFZZIBNYTMQA-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.08
Rot. Bonds5

About 2,2-dimethyl-4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine

2,2-dimethyl-4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine (PubChem CID 59603416) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
PubChem CID59603416
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name2,2-dimethyl-4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
SMILESCC(C)CN1CCN(CCS(C)(=O)=O)C(C)(C)C1
InChIInChI=1S/C13H28N2O2S/c1-12(2)10-14-6-7-15(13(3,4)11-14)8-9-18(5,16)17/h12H,6-11H2,1-5H3
InChIKeyOTJFZZIBNYTMQA-UHFFFAOYSA-N
XLogP1.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine?
The IUPAC name of 2,2-dimethyl-4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine (CID 59603416) is 2,2-dimethyl-4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine.
What is the SMILES notation for 2,2-dimethyl-4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine?
The canonical SMILES for 2,2-dimethyl-4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine is CC(C)CN1CCN(CCS(C)(=O)=O)C(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine?
The InChIKey is OTJFZZIBNYTMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-12(2)10-14-6-7-15(13(3,4)11-14)8-9-18(5,16)17/h12H,6-11H2,1-5H3.
What are the key properties of 2,2-dimethyl-4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine?
2,2-dimethyl-4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine has a molecular weight of 276.45 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine is sourced from PubChem (CID 59603416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).