4-(2-chloropyrimidin-5-yl)sulfonyl-3,3-dimethylpiperazine-2,6-dione

C10H11ClN4O4S — CID 66074418

IUPAC4-(2-chloropyrimidin-5-yl)sulfonyl-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1S(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C10H11ClN4O4S/c1-10(2)8(17)14-7(16)5-15(10)20(18,19)6-3-12-9(11)13-4-6/h3-4H,5H2,1-2H3,(H,14,16,17)
InChIKeyOLBIIVPLRDLTDQ-UHFFFAOYSA-N
MW318.74 g/mol
LogP-0.44
Rot. Bonds2

About 4-(2-chloropyrimidin-5-yl)sulfonyl-3,3-dimethylpiperazine-2,6-dione

4-(2-chloropyrimidin-5-yl)sulfonyl-3,3-dimethylpiperazine-2,6-dione (PubChem CID 66074418) has the molecular formula C10H11ClN4O4S and a molecular weight of 318.74 g/mol. Its IUPAC name is 4-(2-chloropyrimidin-5-yl)sulfonyl-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-chloropyrimidin-5-yl)sulfonyl-3,3-dimethylpiperazine-2,6-dione
PubChem CID66074418
Molecular FormulaC10H11ClN4O4S
Molecular Weight318.74 g/mol
Exact Mass318.02
IUPAC Name4-(2-chloropyrimidin-5-yl)sulfonyl-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1S(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C10H11ClN4O4S/c1-10(2)8(17)14-7(16)5-15(10)20(18,19)6-3-12-9(11)13-4-6/h3-4H,5H2,1-2H3,(H,14,16,17)
InChIKeyOLBIIVPLRDLTDQ-UHFFFAOYSA-N
XLogP-0.44
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.74
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(2-chloropyrimidin-5-yl)sulfonyl-3,3-dimethylpiperazine-2,6-dione 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 4-(2-chloropyrimidin-5-yl)sulfonyl-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(2-chloropyrimidin-5-yl)sulfonyl-3,3-dimethylpiperazine-2,6-dione (CID 66074418) is 4-(2-chloropyrimidin-5-yl)sulfonyl-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2-chloropyrimidin-5-yl)sulfonyl-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(2-chloropyrimidin-5-yl)sulfonyl-3,3-dimethylpiperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1S(=O)(=O)c1cnc(Cl)nc1.
What is the InChIKey of 4-(2-chloropyrimidin-5-yl)sulfonyl-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is OLBIIVPLRDLTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O4S/c1-10(2)8(17)14-7(16)5-15(10)20(18,19)6-3-12-9(11)13-4-6/h3-4H,5H2,1-2H3,(H,14,16,17).
What are the key properties of 4-(2-chloropyrimidin-5-yl)sulfonyl-3,3-dimethylpiperazine-2,6-dione?
4-(2-chloropyrimidin-5-yl)sulfonyl-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 318.74 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloropyrimidin-5-yl)sulfonyl-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 66074418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).