8-azido-3-hydroxyoctane-1-sulfinate

C8H16N3O3S- — CID 138734798

IUPAC8-azido-3-hydroxyoctane-1-sulfinate
SMILES[N-]=[N+]=NCCCCCC(O)CCS(=O)[O-]
InChIInChI=1S/C8H17N3O3S/c9-11-10-6-3-1-2-4-8(12)5-7-15(13)14/h8,12H,1-7H2,(H,13,14)/p-1
InChIKeyQSUAZURFOGVIJH-UHFFFAOYSA-M
MW234.30 g/mol
LogP1.49
Rot. Bonds9

About 8-azido-3-hydroxyoctane-1-sulfinate

8-azido-3-hydroxyoctane-1-sulfinate (PubChem CID 138734798) has the molecular formula C8H16N3O3S- and a molecular weight of 234.30 g/mol. Its IUPAC name is 8-azido-3-hydroxyoctane-1-sulfinate.

Molecular Properties

Compound Name8-azido-3-hydroxyoctane-1-sulfinate
PubChem CID138734798
Molecular FormulaC8H16N3O3S-
Molecular Weight234.30 g/mol
Exact Mass234.09
IUPAC Name8-azido-3-hydroxyoctane-1-sulfinate
SMILES[N-]=[N+]=NCCCCCC(O)CCS(=O)[O-]
InChIInChI=1S/C8H17N3O3S/c9-11-10-6-3-1-2-4-8(12)5-7-15(13)14/h8,12H,1-7H2,(H,13,14)/p-1
InChIKeyQSUAZURFOGVIJH-UHFFFAOYSA-M
XLogP1.49
TPSA109.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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(7-azido-1-methylsulfinylheptan-2-yl) carbonochloridate
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6-azido-1,1-dideuteriohexan-1-ol
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5-azido-1,1-dihydroxypentan-2-one
CID 151328078
6-azidohexan-1-ol
CID 11051778
10-azidodecan-1-ol
CID 4641376
8-azidooctan-1-ol
CID 11789665
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1-azido-6-chlorohexane;formic acid
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Frequently Asked Questions

What is the IUPAC name of 8-azido-3-hydroxyoctane-1-sulfinate?
The IUPAC name of 8-azido-3-hydroxyoctane-1-sulfinate (CID 138734798) is 8-azido-3-hydroxyoctane-1-sulfinate.
What is the SMILES notation for 8-azido-3-hydroxyoctane-1-sulfinate?
The canonical SMILES for 8-azido-3-hydroxyoctane-1-sulfinate is [N-]=[N+]=NCCCCCC(O)CCS(=O)[O-].
What is the InChIKey of 8-azido-3-hydroxyoctane-1-sulfinate?
The InChIKey is QSUAZURFOGVIJH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17N3O3S/c9-11-10-6-3-1-2-4-8(12)5-7-15(13)14/h8,12H,1-7H2,(H,13,14)/p-1.
What are the key properties of 8-azido-3-hydroxyoctane-1-sulfinate?
8-azido-3-hydroxyoctane-1-sulfinate has a molecular weight of 234.30 g/mol, XLogP of 1.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azido-3-hydroxyoctane-1-sulfinate is sourced from PubChem (CID 138734798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).