1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-methylsulfonylpiperazine

C11H24N2O3S — CID 69097625

IUPAC1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-methylsulfonylpiperazine
SMILESCC(C)(C)OCCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H24N2O3S/c1-11(2,3)16-10-9-12-5-7-13(8-6-12)17(4,14)15/h5-10H2,1-4H3
InChIKeyFZVYDSDKYGYSJD-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.38
Rot. Bonds4

About 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-methylsulfonylpiperazine

1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-methylsulfonylpiperazine (PubChem CID 69097625) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-methylsulfonylpiperazine
PubChem CID69097625
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-methylsulfonylpiperazine
SMILESCC(C)(C)OCCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H24N2O3S/c1-11(2,3)16-10-9-12-5-7-13(8-6-12)17(4,14)15/h5-10H2,1-4H3
InChIKeyFZVYDSDKYGYSJD-UHFFFAOYSA-N
XLogP0.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-methylsulfonylpiperazine?
The IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-methylsulfonylpiperazine (CID 69097625) is 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-methylsulfonylpiperazine?
The canonical SMILES for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-methylsulfonylpiperazine is CC(C)(C)OCCN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-methylsulfonylpiperazine?
The InChIKey is FZVYDSDKYGYSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-11(2,3)16-10-9-12-5-7-13(8-6-12)17(4,14)15/h5-10H2,1-4H3.
What are the key properties of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-methylsulfonylpiperazine?
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-methylsulfonylpiperazine has a molecular weight of 264.39 g/mol, XLogP of 0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-methylsulfonylpiperazine is sourced from PubChem (CID 69097625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).