4-(difluoromethylsulfonyl)piperazine-2,6-dione

C5H6F2N2O4S — CID 66085770

IUPAC4-(difluoromethylsulfonyl)piperazine-2,6-dione
SMILESO=C1CN(S(=O)(=O)C(F)F)CC(=O)N1
InChIInChI=1S/C5H6F2N2O4S/c6-5(7)14(12,13)9-1-3(10)8-4(11)2-9/h5H,1-2H2,(H,8,10,11)
InChIKeyXKUMETMRJMOUHV-UHFFFAOYSA-N
MW228.18 g/mol
LogP-1.50
Rot. Bonds2

About 4-(difluoromethylsulfonyl)piperazine-2,6-dione

4-(difluoromethylsulfonyl)piperazine-2,6-dione (PubChem CID 66085770) has the molecular formula C5H6F2N2O4S and a molecular weight of 228.18 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)piperazine-2,6-dione
PubChem CID66085770
Molecular FormulaC5H6F2N2O4S
Molecular Weight228.18 g/mol
Exact Mass228.00
IUPAC Name4-(difluoromethylsulfonyl)piperazine-2,6-dione
SMILESO=C1CN(S(=O)(=O)C(F)F)CC(=O)N1
InChIInChI=1S/C5H6F2N2O4S/c6-5(7)14(12,13)9-1-3(10)8-4(11)2-9/h5H,1-2H2,(H,8,10,11)
InChIKeyXKUMETMRJMOUHV-UHFFFAOYSA-N
XLogP-1.50
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 5-1.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(difluoromethylsulfonyl)piperazine-2,6-dione?
The IUPAC name of 4-(difluoromethylsulfonyl)piperazine-2,6-dione (CID 66085770) is 4-(difluoromethylsulfonyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(difluoromethylsulfonyl)piperazine-2,6-dione?
The canonical SMILES for 4-(difluoromethylsulfonyl)piperazine-2,6-dione is O=C1CN(S(=O)(=O)C(F)F)CC(=O)N1.
What is the InChIKey of 4-(difluoromethylsulfonyl)piperazine-2,6-dione?
The InChIKey is XKUMETMRJMOUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2O4S/c6-5(7)14(12,13)9-1-3(10)8-4(11)2-9/h5H,1-2H2,(H,8,10,11).
What are the key properties of 4-(difluoromethylsulfonyl)piperazine-2,6-dione?
4-(difluoromethylsulfonyl)piperazine-2,6-dione has a molecular weight of 228.18 g/mol, XLogP of -1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)piperazine-2,6-dione is sourced from PubChem (CID 66085770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).