3-ethyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine

C12H26N2O2S — CID 79550304

IUPAC3-ethyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine
SMILESCCC1(C)CN(CC(C)(C)S(C)(=O)=O)CCN1
InChIInChI=1S/C12H26N2O2S/c1-6-12(4)10-14(8-7-13-12)9-11(2,3)17(5,15)16/h13H,6-10H2,1-5H3
InChIKeyYRQYDTYWUDBXCE-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.88
Rot. Bonds4

About 3-ethyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine

3-ethyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine (PubChem CID 79550304) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine
PubChem CID79550304
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name3-ethyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine
SMILESCCC1(C)CN(CC(C)(C)S(C)(=O)=O)CCN1
InChIInChI=1S/C12H26N2O2S/c1-6-12(4)10-14(8-7-13-12)9-11(2,3)17(5,15)16/h13H,6-10H2,1-5H3
InChIKeyYRQYDTYWUDBXCE-UHFFFAOYSA-N
XLogP0.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine?
The IUPAC name of 3-ethyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine (CID 79550304) is 3-ethyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine.
What is the SMILES notation for 3-ethyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine?
The canonical SMILES for 3-ethyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine is CCC1(C)CN(CC(C)(C)S(C)(=O)=O)CCN1.
What is the InChIKey of 3-ethyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine?
The InChIKey is YRQYDTYWUDBXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-6-12(4)10-14(8-7-13-12)9-11(2,3)17(5,15)16/h13H,6-10H2,1-5H3.
What are the key properties of 3-ethyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine?
3-ethyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine has a molecular weight of 262.42 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine is sourced from PubChem (CID 79550304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).