2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide

C6H11N3O4S — CID 66074806

IUPAC2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide
SMILESCC1(C)C(=O)NC(=O)CN1S(N)(=O)=O
InChIInChI=1S/C6H11N3O4S/c1-6(2)5(11)8-4(10)3-9(6)14(7,12)13/h3H2,1-2H3,(H2,7,12,13)(H,8,10,11)
InChIKeyBYLVSLJYOAGJIY-UHFFFAOYSA-N
MW221.24 g/mol
LogP-2.07
Rot. Bonds1

About 2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide

2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide (PubChem CID 66074806) has the molecular formula C6H11N3O4S and a molecular weight of 221.24 g/mol. Its IUPAC name is 2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide.

Molecular Properties

Compound Name2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide
PubChem CID66074806
Molecular FormulaC6H11N3O4S
Molecular Weight221.24 g/mol
Exact Mass221.05
IUPAC Name2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide
SMILESCC1(C)C(=O)NC(=O)CN1S(N)(=O)=O
InChIInChI=1S/C6H11N3O4S/c1-6(2)5(11)8-4(10)3-9(6)14(7,12)13/h3H2,1-2H3,(H2,7,12,13)(H,8,10,11)
InChIKeyBYLVSLJYOAGJIY-UHFFFAOYSA-N
XLogP-2.07
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 5-2.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide?
The IUPAC name of 2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide (CID 66074806) is 2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide.
What is the SMILES notation for 2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide?
The canonical SMILES for 2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide is CC1(C)C(=O)NC(=O)CN1S(N)(=O)=O.
What is the InChIKey of 2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide?
The InChIKey is BYLVSLJYOAGJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O4S/c1-6(2)5(11)8-4(10)3-9(6)14(7,12)13/h3H2,1-2H3,(H2,7,12,13)(H,8,10,11).
What are the key properties of 2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide?
2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide has a molecular weight of 221.24 g/mol, XLogP of -2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide is sourced from PubChem (CID 66074806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).