S-[[5-[6-(cyclopentylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine

C15H22N6O2S — CID 170721866

IUPACS-[[5-[6-(cyclopentylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine
SMILESNSOCC1CCC(n2cnc3c(NC4CCCC4)ncnc32)O1
InChIInChI=1S/C15H22N6O2S/c16-24-22-7-11-5-6-12(23-11)21-9-19-13-14(17-8-18-15(13)21)20-10-3-1-2-4-10/h8-12H,1-7,16H2,(H,17,18,20)
InChIKeyFXINNERDGOHENE-UHFFFAOYSA-N
MW350.45 g/mol
LogP2.40
Rot. Bonds6

About S-[[5-[6-(cyclopentylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine

S-[[5-[6-(cyclopentylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine (PubChem CID 170721866) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is S-[[5-[6-(cyclopentylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine.

Molecular Properties

Compound NameS-[[5-[6-(cyclopentylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine
PubChem CID170721866
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC NameS-[[5-[6-(cyclopentylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine
SMILESNSOCC1CCC(n2cnc3c(NC4CCCC4)ncnc32)O1
InChIInChI=1S/C15H22N6O2S/c16-24-22-7-11-5-6-12(23-11)21-9-19-13-14(17-8-18-15(13)21)20-10-3-1-2-4-10/h8-12H,1-7,16H2,(H,17,18,20)
InChIKeyFXINNERDGOHENE-UHFFFAOYSA-N
XLogP2.40
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
CID 54592375
S-[[5-[6-(oxolan-2-ylmethylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine
CID 170721853
S-[[5-[6-(2-thiophen-2-ylethylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine
CID 170721872
[(2S,5R)-5-(6-hydrazinylpurin-9-yl)oxolan-2-yl]methanol
CID 135258315
[(2R,5R)-5-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]oxolan-2-yl]methyl sulfamate
CID 173050454
[(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
CID 56967848
bis((2R,3R,4R,5R)-5-[6-(cyclohexylamino)purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol);trihydrate
CID 71351377
(2R,3R,4S,5S)-2-[6-(cyclopentylamino)purin-9-yl]-5-(sulfanylmethyl)oxolane-3,4-diol
CID 137454747
9-[5-(aminomethyl)oxolan-2-yl]-6-N-cyclopropylpurine-2,6-diamine
CID 123996190
[(1R,2R,4R,5R)-4-[6-(cyclopentylamino)purin-9-yl]-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 10543507
(2R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 56995921
[5-(6-aminopurin-9-yl)oxolan-2-yl]methoxyphosphanylmethanol
CID 170179293

Frequently Asked Questions

What is the IUPAC name of S-[[5-[6-(cyclopentylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine?
The IUPAC name of S-[[5-[6-(cyclopentylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine (CID 170721866) is S-[[5-[6-(cyclopentylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine.
What is the SMILES notation for S-[[5-[6-(cyclopentylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine?
The canonical SMILES for S-[[5-[6-(cyclopentylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine is NSOCC1CCC(n2cnc3c(NC4CCCC4)ncnc32)O1.
What is the InChIKey of S-[[5-[6-(cyclopentylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine?
The InChIKey is FXINNERDGOHENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c16-24-22-7-11-5-6-12(23-11)21-9-19-13-14(17-8-18-15(13)21)20-10-3-1-2-4-10/h8-12H,1-7,16H2,(H,17,18,20).
What are the key properties of S-[[5-[6-(cyclopentylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine?
S-[[5-[6-(cyclopentylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine has a molecular weight of 350.45 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for S-[[5-[6-(cyclopentylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine is sourced from PubChem (CID 170721866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).