N-propyl-7H-purine-6-sulfonamide

C8H11N5O2S — CID 5484343

IUPACN-propyl-7H-purine-6-sulfonamide
SMILESCCCNS(=O)(=O)c1ncnc2nc[nH]c12
InChIInChI=1S/C8H11N5O2S/c1-2-3-13-16(14,15)8-6-7(10-4-9-6)11-5-12-8/h4-5,13H,2-3H2,1H3,(H,9,10,11,12)
InChIKeyXUBZLRKMPOTJOL-UHFFFAOYSA-N
MW241.28 g/mol
LogP0.04
Rot. Bonds4

About N-propyl-7H-purine-6-sulfonamide

N-propyl-7H-purine-6-sulfonamide (PubChem CID 5484343) has the molecular formula C8H11N5O2S and a molecular weight of 241.28 g/mol. Its IUPAC name is N-propyl-7H-purine-6-sulfonamide.

Molecular Properties

Compound NameN-propyl-7H-purine-6-sulfonamide
PubChem CID5484343
Molecular FormulaC8H11N5O2S
Molecular Weight241.28 g/mol
Exact Mass241.06
IUPAC NameN-propyl-7H-purine-6-sulfonamide
SMILESCCCNS(=O)(=O)c1ncnc2nc[nH]c12
InChIInChI=1S/C8H11N5O2S/c1-2-3-13-16(14,15)8-6-7(10-4-9-6)11-5-12-8/h4-5,13H,2-3H2,1H3,(H,9,10,11,12)
InChIKeyXUBZLRKMPOTJOL-UHFFFAOYSA-N
XLogP0.04
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-propyl-7H-purine-6-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 N-propyl-7H-purine-6-sulfonamide?
The IUPAC name of N-propyl-7H-purine-6-sulfonamide (CID 5484343) is N-propyl-7H-purine-6-sulfonamide.
What is the SMILES notation for N-propyl-7H-purine-6-sulfonamide?
The canonical SMILES for N-propyl-7H-purine-6-sulfonamide is CCCNS(=O)(=O)c1ncnc2nc[nH]c12.
What is the InChIKey of N-propyl-7H-purine-6-sulfonamide?
The InChIKey is XUBZLRKMPOTJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2S/c1-2-3-13-16(14,15)8-6-7(10-4-9-6)11-5-12-8/h4-5,13H,2-3H2,1H3,(H,9,10,11,12).
What are the key properties of N-propyl-7H-purine-6-sulfonamide?
N-propyl-7H-purine-6-sulfonamide has a molecular weight of 241.28 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-7H-purine-6-sulfonamide is sourced from PubChem (CID 5484343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).