4-[(E)-2-phenylethenyl]sulfonylpiperazin-2-one

C12H14N2O3S — CID 2524566

IUPAC4-[(E)-2-phenylethenyl]sulfonylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)/C=C/c2ccccc2)CCN1
InChIInChI=1S/C12H14N2O3S/c15-12-10-14(8-7-13-12)18(16,17)9-6-11-4-2-1-3-5-11/h1-6,9H,7-8,10H2,(H,13,15)/b9-6+
InChIKeyGNOZSCAISGXIRA-RMKNXTFCSA-N
MW266.32 g/mol
LogP0.42
Rot. Bonds3

About 4-[(E)-2-phenylethenyl]sulfonylpiperazin-2-one

4-[(E)-2-phenylethenyl]sulfonylpiperazin-2-one (PubChem CID 2524566) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-[(E)-2-phenylethenyl]sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-[(E)-2-phenylethenyl]sulfonylpiperazin-2-one
PubChem CID2524566
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name4-[(E)-2-phenylethenyl]sulfonylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)/C=C/c2ccccc2)CCN1
InChIInChI=1S/C12H14N2O3S/c15-12-10-14(8-7-13-12)18(16,17)9-6-11-4-2-1-3-5-11/h1-6,9H,7-8,10H2,(H,13,15)/b9-6+
InChIKeyGNOZSCAISGXIRA-RMKNXTFCSA-N
XLogP0.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-phenylethenyl]sulfonylpiperazin-2-one?
The IUPAC name of 4-[(E)-2-phenylethenyl]sulfonylpiperazin-2-one (CID 2524566) is 4-[(E)-2-phenylethenyl]sulfonylpiperazin-2-one.
What is the SMILES notation for 4-[(E)-2-phenylethenyl]sulfonylpiperazin-2-one?
The canonical SMILES for 4-[(E)-2-phenylethenyl]sulfonylpiperazin-2-one is O=C1CN(S(=O)(=O)/C=C/c2ccccc2)CCN1.
What is the InChIKey of 4-[(E)-2-phenylethenyl]sulfonylpiperazin-2-one?
The InChIKey is GNOZSCAISGXIRA-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H14N2O3S/c15-12-10-14(8-7-13-12)18(16,17)9-6-11-4-2-1-3-5-11/h1-6,9H,7-8,10H2,(H,13,15)/b9-6+.
What are the key properties of 4-[(E)-2-phenylethenyl]sulfonylpiperazin-2-one?
4-[(E)-2-phenylethenyl]sulfonylpiperazin-2-one has a molecular weight of 266.32 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-phenylethenyl]sulfonylpiperazin-2-one is sourced from PubChem (CID 2524566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).