2,2,5-trimethyl-1-methylsulfonylpiperazine

C8H18N2O2S — CID 82241466

IUPAC2,2,5-trimethyl-1-methylsulfonylpiperazine
SMILESCC1CN(S(C)(=O)=O)C(C)(C)CN1
InChIInChI=1S/C8H18N2O2S/c1-7-5-10(13(4,11)12)8(2,3)6-9-7/h7,9H,5-6H2,1-4H3
InChIKeyJCFCHYLDUZIQEX-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.02
Rot. Bonds1

About 2,2,5-trimethyl-1-methylsulfonylpiperazine

2,2,5-trimethyl-1-methylsulfonylpiperazine (PubChem CID 82241466) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2,2,5-trimethyl-1-methylsulfonylpiperazine.

Molecular Properties

Compound Name2,2,5-trimethyl-1-methylsulfonylpiperazine
PubChem CID82241466
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2,2,5-trimethyl-1-methylsulfonylpiperazine
SMILESCC1CN(S(C)(=O)=O)C(C)(C)CN1
InChIInChI=1S/C8H18N2O2S/c1-7-5-10(13(4,11)12)8(2,3)6-9-7/h7,9H,5-6H2,1-4H3
InChIKeyJCFCHYLDUZIQEX-UHFFFAOYSA-N
XLogP0.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-1-methylsulfonylpiperazine?
The IUPAC name of 2,2,5-trimethyl-1-methylsulfonylpiperazine (CID 82241466) is 2,2,5-trimethyl-1-methylsulfonylpiperazine.
What is the SMILES notation for 2,2,5-trimethyl-1-methylsulfonylpiperazine?
The canonical SMILES for 2,2,5-trimethyl-1-methylsulfonylpiperazine is CC1CN(S(C)(=O)=O)C(C)(C)CN1.
What is the InChIKey of 2,2,5-trimethyl-1-methylsulfonylpiperazine?
The InChIKey is JCFCHYLDUZIQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-7-5-10(13(4,11)12)8(2,3)6-9-7/h7,9H,5-6H2,1-4H3.
What are the key properties of 2,2,5-trimethyl-1-methylsulfonylpiperazine?
2,2,5-trimethyl-1-methylsulfonylpiperazine has a molecular weight of 206.31 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-1-methylsulfonylpiperazine is sourced from PubChem (CID 82241466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).