2-(4-methylsulfonylphenyl)-6-(oxolan-3-ylmethoxy)piperazine

C16H24N2O4S — CID 156650329

IUPAC2-(4-methylsulfonylphenyl)-6-(oxolan-3-ylmethoxy)piperazine
SMILESCS(=O)(=O)c1ccc(C2CNCC(OCC3CCOC3)N2)cc1
InChIInChI=1S/C16H24N2O4S/c1-23(19,20)14-4-2-13(3-5-14)15-8-17-9-16(18-15)22-11-12-6-7-21-10-12/h2-5,12,15-18H,6-11H2,1H3
InChIKeyGZQSSURGIPMXBD-UHFFFAOYSA-N
MW340.44 g/mol
LogP0.70
Rot. Bonds5

About 2-(4-methylsulfonylphenyl)-6-(oxolan-3-ylmethoxy)piperazine

2-(4-methylsulfonylphenyl)-6-(oxolan-3-ylmethoxy)piperazine (PubChem CID 156650329) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-6-(oxolan-3-ylmethoxy)piperazine.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-6-(oxolan-3-ylmethoxy)piperazine
PubChem CID156650329
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name2-(4-methylsulfonylphenyl)-6-(oxolan-3-ylmethoxy)piperazine
SMILESCS(=O)(=O)c1ccc(C2CNCC(OCC3CCOC3)N2)cc1
InChIInChI=1S/C16H24N2O4S/c1-23(19,20)14-4-2-13(3-5-14)15-8-17-9-16(18-15)22-11-12-6-7-21-10-12/h2-5,12,15-18H,6-11H2,1H3
InChIKeyGZQSSURGIPMXBD-UHFFFAOYSA-N
XLogP0.70
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-6-(oxolan-3-ylmethoxy)piperazine?
The IUPAC name of 2-(4-methylsulfonylphenyl)-6-(oxolan-3-ylmethoxy)piperazine (CID 156650329) is 2-(4-methylsulfonylphenyl)-6-(oxolan-3-ylmethoxy)piperazine.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-6-(oxolan-3-ylmethoxy)piperazine?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-6-(oxolan-3-ylmethoxy)piperazine is CS(=O)(=O)c1ccc(C2CNCC(OCC3CCOC3)N2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-6-(oxolan-3-ylmethoxy)piperazine?
The InChIKey is GZQSSURGIPMXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-23(19,20)14-4-2-13(3-5-14)15-8-17-9-16(18-15)22-11-12-6-7-21-10-12/h2-5,12,15-18H,6-11H2,1H3.
What are the key properties of 2-(4-methylsulfonylphenyl)-6-(oxolan-3-ylmethoxy)piperazine?
2-(4-methylsulfonylphenyl)-6-(oxolan-3-ylmethoxy)piperazine has a molecular weight of 340.44 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-6-(oxolan-3-ylmethoxy)piperazine is sourced from PubChem (CID 156650329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).