7-propylsulfonylpurine

C8H10N4O2S — CID 139270307

IUPAC7-propylsulfonylpurine
SMILESCCCS(=O)(=O)n1cnc2ncncc21
InChIInChI=1S/C8H10N4O2S/c1-2-3-15(13,14)12-6-11-8-7(12)4-9-5-10-8/h4-6H,2-3H2,1H3
InChIKeyGLWIQQBLIXYUSS-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.41
Rot. Bonds3

About 7-propylsulfonylpurine

7-propylsulfonylpurine (PubChem CID 139270307) has the molecular formula C8H10N4O2S and a molecular weight of 226.26 g/mol. Its IUPAC name is 7-propylsulfonylpurine.

Molecular Properties

Compound Name7-propylsulfonylpurine
PubChem CID139270307
Molecular FormulaC8H10N4O2S
Molecular Weight226.26 g/mol
Exact Mass226.05
IUPAC Name7-propylsulfonylpurine
SMILESCCCS(=O)(=O)n1cnc2ncncc21
InChIInChI=1S/C8H10N4O2S/c1-2-3-15(13,14)12-6-11-8-7(12)4-9-5-10-8/h4-6H,2-3H2,1H3
InChIKeyGLWIQQBLIXYUSS-UHFFFAOYSA-N
XLogP0.41
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-propylsulfonylpurine 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 7-propylsulfonylpurine?
The IUPAC name of 7-propylsulfonylpurine (CID 139270307) is 7-propylsulfonylpurine.
What is the SMILES notation for 7-propylsulfonylpurine?
The canonical SMILES for 7-propylsulfonylpurine is CCCS(=O)(=O)n1cnc2ncncc21.
What is the InChIKey of 7-propylsulfonylpurine?
The InChIKey is GLWIQQBLIXYUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S/c1-2-3-15(13,14)12-6-11-8-7(12)4-9-5-10-8/h4-6H,2-3H2,1H3.
What are the key properties of 7-propylsulfonylpurine?
7-propylsulfonylpurine has a molecular weight of 226.26 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propylsulfonylpurine is sourced from PubChem (CID 139270307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).