5-(7H-purin-6-ylsulfanyl)pentanoyl azide

C10H11N7OS — CID 15581190

IUPAC5-(7H-purin-6-ylsulfanyl)pentanoyl azide
SMILES[N-]=[N+]=NC(=O)CCCCSc1ncnc2nc[nH]c12
InChIInChI=1S/C10H11N7OS/c11-17-16-7(18)3-1-2-4-19-10-8-9(13-5-12-8)14-6-15-10/h5-6H,1-4H2,(H,12,13,14,15)
InChIKeyNMIVBAMMHVWXGZ-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.45
Rot. Bonds6

About 5-(7H-purin-6-ylsulfanyl)pentanoyl azide

5-(7H-purin-6-ylsulfanyl)pentanoyl azide (PubChem CID 15581190) has the molecular formula C10H11N7OS and a molecular weight of 277.31 g/mol. Its IUPAC name is 5-(7H-purin-6-ylsulfanyl)pentanoyl azide.

Molecular Properties

Compound Name5-(7H-purin-6-ylsulfanyl)pentanoyl azide
PubChem CID15581190
Molecular FormulaC10H11N7OS
Molecular Weight277.31 g/mol
Exact Mass277.07
IUPAC Name5-(7H-purin-6-ylsulfanyl)pentanoyl azide
SMILES[N-]=[N+]=NC(=O)CCCCSc1ncnc2nc[nH]c12
InChIInChI=1S/C10H11N7OS/c11-17-16-7(18)3-1-2-4-19-10-8-9(13-5-12-8)14-6-15-10/h5-6H,1-4H2,(H,12,13,14,15)
InChIKeyNMIVBAMMHVWXGZ-UHFFFAOYSA-N
XLogP2.45
TPSA120.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

6-[4-(7H-purin-6-ylsulfanyl)butylsulfanyl]-7H-purine
CID 3844803
6-(7H-purin-6-ylsulfanyl)hexan-1-ol
CID 103736339
6-(5-hydroperoxyhex-5-enylsulfanyl)-7H-purine
CID 59018914
6-dodecylsulfanyl-7H-purine
CID 3778984
1-piperazin-1-yl-3-(7H-purin-6-ylsulfanyl)propan-1-one
CID 62544731
2-amino-2-methyl-6-(7H-purin-6-ylsulfanyl)hexanamide
CID 62254165
5-(7H-purin-6-ylsulfanyl)pentanenitrile
CID 55209118
2-amino-4-(7H-purin-6-ylsulfanyl)butanoic acid
CID 21122775
2-methyl-2-(methylamino)-6-(7H-purin-6-ylsulfanyl)hexanoic acid
CID 62253999
1-(7H-purin-6-ylsulfanyl)pentan-2-one
CID 62255400
diethyl (2S)-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]butanedioate
CID 101132373
2-methyl-4-(7H-purin-6-ylsulfanyl)butan-2-ol
CID 79359571

Frequently Asked Questions

What is the IUPAC name of 5-(7H-purin-6-ylsulfanyl)pentanoyl azide?
The IUPAC name of 5-(7H-purin-6-ylsulfanyl)pentanoyl azide (CID 15581190) is 5-(7H-purin-6-ylsulfanyl)pentanoyl azide.
What is the SMILES notation for 5-(7H-purin-6-ylsulfanyl)pentanoyl azide?
The canonical SMILES for 5-(7H-purin-6-ylsulfanyl)pentanoyl azide is [N-]=[N+]=NC(=O)CCCCSc1ncnc2nc[nH]c12.
What is the InChIKey of 5-(7H-purin-6-ylsulfanyl)pentanoyl azide?
The InChIKey is NMIVBAMMHVWXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7OS/c11-17-16-7(18)3-1-2-4-19-10-8-9(13-5-12-8)14-6-15-10/h5-6H,1-4H2,(H,12,13,14,15).
What are the key properties of 5-(7H-purin-6-ylsulfanyl)pentanoyl azide?
5-(7H-purin-6-ylsulfanyl)pentanoyl azide has a molecular weight of 277.31 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7H-purin-6-ylsulfanyl)pentanoyl azide is sourced from PubChem (CID 15581190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).