4-[2-(ethylamino)phenyl]sulfonylpiperazine-2,6-dione

C12H15N3O4S — CID 66061654

IUPAC4-[2-(ethylamino)phenyl]sulfonylpiperazine-2,6-dione
SMILESCCNc1ccccc1S(=O)(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C12H15N3O4S/c1-2-13-9-5-3-4-6-10(9)20(18,19)15-7-11(16)14-12(17)8-15/h3-6,13H,2,7-8H2,1H3,(H,14,16,17)
InChIKeyQGTVUHKERNTSRM-UHFFFAOYSA-N
MW297.34 g/mol
LogP-0.23
Rot. Bonds4

About 4-[2-(ethylamino)phenyl]sulfonylpiperazine-2,6-dione

4-[2-(ethylamino)phenyl]sulfonylpiperazine-2,6-dione (PubChem CID 66061654) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-[2-(ethylamino)phenyl]sulfonylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(ethylamino)phenyl]sulfonylpiperazine-2,6-dione
PubChem CID66061654
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name4-[2-(ethylamino)phenyl]sulfonylpiperazine-2,6-dione
SMILESCCNc1ccccc1S(=O)(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C12H15N3O4S/c1-2-13-9-5-3-4-6-10(9)20(18,19)15-7-11(16)14-12(17)8-15/h3-6,13H,2,7-8H2,1H3,(H,14,16,17)
InChIKeyQGTVUHKERNTSRM-UHFFFAOYSA-N
XLogP-0.23
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)phenyl]sulfonylpiperazine-2,6-dione?
The IUPAC name of 4-[2-(ethylamino)phenyl]sulfonylpiperazine-2,6-dione (CID 66061654) is 4-[2-(ethylamino)phenyl]sulfonylpiperazine-2,6-dione.
What is the SMILES notation for 4-[2-(ethylamino)phenyl]sulfonylpiperazine-2,6-dione?
The canonical SMILES for 4-[2-(ethylamino)phenyl]sulfonylpiperazine-2,6-dione is CCNc1ccccc1S(=O)(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-[2-(ethylamino)phenyl]sulfonylpiperazine-2,6-dione?
The InChIKey is QGTVUHKERNTSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-2-13-9-5-3-4-6-10(9)20(18,19)15-7-11(16)14-12(17)8-15/h3-6,13H,2,7-8H2,1H3,(H,14,16,17).
What are the key properties of 4-[2-(ethylamino)phenyl]sulfonylpiperazine-2,6-dione?
4-[2-(ethylamino)phenyl]sulfonylpiperazine-2,6-dione has a molecular weight of 297.34 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)phenyl]sulfonylpiperazine-2,6-dione is sourced from PubChem (CID 66061654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).