6-(7H-purin-6-ylsulfanyl)hexan-1-ol

C11H16N4OS — CID 103736339

IUPAC6-(7H-purin-6-ylsulfanyl)hexan-1-ol
SMILESOCCCCCCSc1ncnc2nc[nH]c12
InChIInChI=1S/C11H16N4OS/c16-5-3-1-2-4-6-17-11-9-10(13-7-12-9)14-8-15-11/h7-8,16H,1-6H2,(H,12,13,14,15)
InChIKeyPATKCGMDQQTRAW-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.00
Rot. Bonds7

About 6-(7H-purin-6-ylsulfanyl)hexan-1-ol

6-(7H-purin-6-ylsulfanyl)hexan-1-ol (PubChem CID 103736339) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 6-(7H-purin-6-ylsulfanyl)hexan-1-ol.

Molecular Properties

Compound Name6-(7H-purin-6-ylsulfanyl)hexan-1-ol
PubChem CID103736339
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name6-(7H-purin-6-ylsulfanyl)hexan-1-ol
SMILESOCCCCCCSc1ncnc2nc[nH]c12
InChIInChI=1S/C11H16N4OS/c16-5-3-1-2-4-6-17-11-9-10(13-7-12-9)14-8-15-11/h7-8,16H,1-6H2,(H,12,13,14,15)
InChIKeyPATKCGMDQQTRAW-UHFFFAOYSA-N
XLogP2.00
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(7H-purin-6-ylsulfanyl)hexan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

6-[4-(7H-purin-6-ylsulfanyl)butylsulfanyl]-7H-purine
CID 3844803
6-dodecylsulfanyl-7H-purine
CID 3778984
5-(7H-purin-6-ylsulfanyl)pentanenitrile
CID 55209118
6-(5-hydroperoxyhex-5-enylsulfanyl)-7H-purine
CID 59018914
2-methyl-4-(7H-purin-6-ylsulfanyl)butan-2-ol
CID 79359571
N-methyl-2-(7H-purin-6-ylsulfanyl)ethanamine
CID 62255575
6-(3-phenylpropylsulfanyl)-7H-purine
CID 135397811
5-(7H-purin-6-ylsulfanyl)pentanoyl azide
CID 15581190
2-amino-2-methyl-6-(7H-purin-6-ylsulfanyl)hexanamide
CID 62254165
2-amino-4-(7H-purin-6-ylsulfanyl)butanoic acid
CID 21122775
2-methyl-2-(methylamino)-6-(7H-purin-6-ylsulfanyl)hexanoic acid
CID 62253999
2,2-dimethyl-5-(7H-purin-6-ylsulfanyl)pentanenitrile
CID 65257500

Frequently Asked Questions

What is the IUPAC name of 6-(7H-purin-6-ylsulfanyl)hexan-1-ol?
The IUPAC name of 6-(7H-purin-6-ylsulfanyl)hexan-1-ol (CID 103736339) is 6-(7H-purin-6-ylsulfanyl)hexan-1-ol.
What is the SMILES notation for 6-(7H-purin-6-ylsulfanyl)hexan-1-ol?
The canonical SMILES for 6-(7H-purin-6-ylsulfanyl)hexan-1-ol is OCCCCCCSc1ncnc2nc[nH]c12.
What is the InChIKey of 6-(7H-purin-6-ylsulfanyl)hexan-1-ol?
The InChIKey is PATKCGMDQQTRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c16-5-3-1-2-4-6-17-11-9-10(13-7-12-9)14-8-15-11/h7-8,16H,1-6H2,(H,12,13,14,15).
What are the key properties of 6-(7H-purin-6-ylsulfanyl)hexan-1-ol?
6-(7H-purin-6-ylsulfanyl)hexan-1-ol has a molecular weight of 252.34 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7H-purin-6-ylsulfanyl)hexan-1-ol is sourced from PubChem (CID 103736339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).