1-[2-(oxolan-3-yloxy)ethylsulfonyl]-4-phenylpiperazine

C16H24N2O4S — CID 146149120

IUPAC1-[2-(oxolan-3-yloxy)ethylsulfonyl]-4-phenylpiperazine
SMILESO=S(=O)(CCOC1CCOC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H24N2O4S/c19-23(20,13-12-22-16-6-11-21-14-16)18-9-7-17(8-10-18)15-4-2-1-3-5-15/h1-5,16H,6-14H2
InChIKeyGOXMSELTGAUYCX-UHFFFAOYSA-N
MW340.44 g/mol
LogP0.94
Rot. Bonds6

About 1-[2-(oxolan-3-yloxy)ethylsulfonyl]-4-phenylpiperazine

1-[2-(oxolan-3-yloxy)ethylsulfonyl]-4-phenylpiperazine (PubChem CID 146149120) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 1-[2-(oxolan-3-yloxy)ethylsulfonyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[2-(oxolan-3-yloxy)ethylsulfonyl]-4-phenylpiperazine
PubChem CID146149120
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name1-[2-(oxolan-3-yloxy)ethylsulfonyl]-4-phenylpiperazine
SMILESO=S(=O)(CCOC1CCOC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H24N2O4S/c19-23(20,13-12-22-16-6-11-21-14-16)18-9-7-17(8-10-18)15-4-2-1-3-5-15/h1-5,16H,6-14H2
InChIKeyGOXMSELTGAUYCX-UHFFFAOYSA-N
XLogP0.94
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-3-yloxy)ethylsulfonyl]-4-phenylpiperazine?
The IUPAC name of 1-[2-(oxolan-3-yloxy)ethylsulfonyl]-4-phenylpiperazine (CID 146149120) is 1-[2-(oxolan-3-yloxy)ethylsulfonyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[2-(oxolan-3-yloxy)ethylsulfonyl]-4-phenylpiperazine?
The canonical SMILES for 1-[2-(oxolan-3-yloxy)ethylsulfonyl]-4-phenylpiperazine is O=S(=O)(CCOC1CCOC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[2-(oxolan-3-yloxy)ethylsulfonyl]-4-phenylpiperazine?
The InChIKey is GOXMSELTGAUYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c19-23(20,13-12-22-16-6-11-21-14-16)18-9-7-17(8-10-18)15-4-2-1-3-5-15/h1-5,16H,6-14H2.
What are the key properties of 1-[2-(oxolan-3-yloxy)ethylsulfonyl]-4-phenylpiperazine?
1-[2-(oxolan-3-yloxy)ethylsulfonyl]-4-phenylpiperazine has a molecular weight of 340.44 g/mol, XLogP of 0.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-3-yloxy)ethylsulfonyl]-4-phenylpiperazine is sourced from PubChem (CID 146149120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).