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

C15H22N6O3S — CID 170721853

IUPACS-[[5-[6-(oxolan-2-ylmethylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine
SMILESNSOCC1CCC(n2cnc3c(NCC4CCCO4)ncnc32)O1
InChIInChI=1S/C15H22N6O3S/c16-25-23-7-11-3-4-12(24-11)21-9-20-13-14(18-8-19-15(13)21)17-6-10-2-1-5-22-10/h8-12H,1-7,16H2,(H,17,18,19)
InChIKeyAYNRBYHYTDTTBJ-UHFFFAOYSA-N
MW366.45 g/mol
LogP1.63
Rot. Bonds7

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

S-[[5-[6-(oxolan-2-ylmethylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine (PubChem CID 170721853) has the molecular formula C15H22N6O3S and a molecular weight of 366.45 g/mol. Its IUPAC name is S-[[5-[6-(oxolan-2-ylmethylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine.

Molecular Properties

Compound NameS-[[5-[6-(oxolan-2-ylmethylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine
PubChem CID170721853
Molecular FormulaC15H22N6O3S
Molecular Weight366.45 g/mol
Exact Mass366.15
IUPAC NameS-[[5-[6-(oxolan-2-ylmethylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine
SMILESNSOCC1CCC(n2cnc3c(NCC4CCCO4)ncnc32)O1
InChIInChI=1S/C15H22N6O3S/c16-25-23-7-11-3-4-12(24-11)21-9-20-13-14(18-8-19-15(13)21)17-6-10-2-1-5-22-10/h8-12H,1-7,16H2,(H,17,18,19)
InChIKeyAYNRBYHYTDTTBJ-UHFFFAOYSA-N
XLogP1.63
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

S-[[5-[6-(cyclopentylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine
CID 170721866
S-[[5-[6-(2-thiophen-2-ylethylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine
CID 170721872
(2R,3S,4R)-2-(hydroxymethyl)-5-[6-(oxan-2-ylmethylamino)purin-9-yl]oxolane-3,4-diol
CID 46876037
[(2S,5R)-5-(6-hydrazinylpurin-9-yl)oxolan-2-yl]methanol
CID 135258315
[(2S,5R)-5-[6-(4-aminobutylamino)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
CID 101140941
[5-[6-(prop-2-ynylamino)purin-9-yl]oxolan-2-yl]methanol
CID 142808553
3-methyl-N-[[(2R)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 7424134
[(5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol
CID 142470459
3-ethyl-N-[[(2S)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 7584408
[(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
CID 54592375
[5-(6-aminopurin-9-yl)oxolan-2-yl]methoxyphosphanylmethanol
CID 170179293
[(2R,5R)-5-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]oxolan-2-yl]methyl sulfamate
CID 173050454

Frequently Asked Questions

What is the IUPAC name of S-[[5-[6-(oxolan-2-ylmethylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine?
The IUPAC name of S-[[5-[6-(oxolan-2-ylmethylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine (CID 170721853) is S-[[5-[6-(oxolan-2-ylmethylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine.
What is the SMILES notation for S-[[5-[6-(oxolan-2-ylmethylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine?
The canonical SMILES for S-[[5-[6-(oxolan-2-ylmethylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine is NSOCC1CCC(n2cnc3c(NCC4CCCO4)ncnc32)O1.
What is the InChIKey of S-[[5-[6-(oxolan-2-ylmethylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine?
The InChIKey is AYNRBYHYTDTTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3S/c16-25-23-7-11-3-4-12(24-11)21-9-20-13-14(18-8-19-15(13)21)17-6-10-2-1-5-22-10/h8-12H,1-7,16H2,(H,17,18,19).
What are the key properties of S-[[5-[6-(oxolan-2-ylmethylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine?
S-[[5-[6-(oxolan-2-ylmethylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine has a molecular weight of 366.45 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for S-[[5-[6-(oxolan-2-ylmethylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine is sourced from PubChem (CID 170721853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).