9-cyclopentyl-3H-purine-6-thione

C10H12N4S — CID 3034494

IUPAC9-cyclopentyl-3H-purine-6-thione
SMILESS=c1nc[nH]c2c1ncn2C1CCCC1
InChIInChI=1S/C10H12N4S/c15-10-8-9(11-5-12-10)14(6-13-8)7-3-1-2-4-7/h5-7H,1-4H2,(H,11,12,15)
InChIKeyAMLJKGIHHITBDS-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.60
Rot. Bonds1

About 9-cyclopentyl-3H-purine-6-thione

9-cyclopentyl-3H-purine-6-thione (PubChem CID 3034494) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 9-cyclopentyl-3H-purine-6-thione.

Molecular Properties

Compound Name9-cyclopentyl-3H-purine-6-thione
PubChem CID3034494
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name9-cyclopentyl-3H-purine-6-thione
SMILESS=c1nc[nH]c2c1ncn2C1CCCC1
InChIInChI=1S/C10H12N4S/c15-10-8-9(11-5-12-10)14(6-13-8)7-3-1-2-4-7/h5-7H,1-4H2,(H,11,12,15)
InChIKeyAMLJKGIHHITBDS-UHFFFAOYSA-N
XLogP2.60
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-cyclopentyl-3H-purine-6-thione 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 9-cyclopentyl-3H-purine-6-thione?
The IUPAC name of 9-cyclopentyl-3H-purine-6-thione (CID 3034494) is 9-cyclopentyl-3H-purine-6-thione.
What is the SMILES notation for 9-cyclopentyl-3H-purine-6-thione?
The canonical SMILES for 9-cyclopentyl-3H-purine-6-thione is S=c1nc[nH]c2c1ncn2C1CCCC1.
What is the InChIKey of 9-cyclopentyl-3H-purine-6-thione?
The InChIKey is AMLJKGIHHITBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c15-10-8-9(11-5-12-10)14(6-13-8)7-3-1-2-4-7/h5-7H,1-4H2,(H,11,12,15).
What are the key properties of 9-cyclopentyl-3H-purine-6-thione?
9-cyclopentyl-3H-purine-6-thione has a molecular weight of 220.30 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-3H-purine-6-thione is sourced from PubChem (CID 3034494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).