3-azidopropane-1-sulfinate

C3H6N3O2S- — CID 152765724

IUPAC3-azidopropane-1-sulfinate
SMILES[N-]=[N+]=NCCCS(=O)[O-]
InChIInChI=1S/C3H7N3O2S/c4-6-5-2-1-3-9(7)8/h1-3H2,(H,7,8)/p-1
InChIKeyVOOOIOGYSDHOBL-UHFFFAOYSA-M
MW148.17 g/mol
LogP0.57
Rot. Bonds4

About 3-azidopropane-1-sulfinate

3-azidopropane-1-sulfinate (PubChem CID 152765724) has the molecular formula C3H6N3O2S- and a molecular weight of 148.17 g/mol. Its IUPAC name is 3-azidopropane-1-sulfinate.

Molecular Properties

Compound Name3-azidopropane-1-sulfinate
PubChem CID152765724
Molecular FormulaC3H6N3O2S-
Molecular Weight148.17 g/mol
Exact Mass148.02
IUPAC Name3-azidopropane-1-sulfinate
SMILES[N-]=[N+]=NCCCS(=O)[O-]
InChIInChI=1S/C3H7N3O2S/c4-6-5-2-1-3-9(7)8/h1-3H2,(H,7,8)/p-1
InChIKeyVOOOIOGYSDHOBL-UHFFFAOYSA-M
XLogP0.57
TPSA88.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

8-azido-3-hydroxyoctane-1-sulfinate
CID 138734798
1-azido-3-propylsulfinylpropane
CID 61396915
1-azido-4-methylsulfinylbutane
CID 71313591
1,14-diazidotetradecane
CID 146463967
1-azido-3-nitrosopropane
CID 90131569
1-(3-azidopropylsulfinyl)-2-fluorobenzene
CID 61396870
sodium 3-azidopropane-1-sulfonate
CID 58931865
3-azidopropan-1-ol
CID 10996974
1-azidobutane
CID 4563922
3-azidopropanoyl sulfite
CID 174986930
2-(3-azidopropylsulfinylmethyl)oxolane
CID 106495363
5-azidopentanal
CID 14471037

Frequently Asked Questions

What is the IUPAC name of 3-azidopropane-1-sulfinate?
The IUPAC name of 3-azidopropane-1-sulfinate (CID 152765724) is 3-azidopropane-1-sulfinate.
What is the SMILES notation for 3-azidopropane-1-sulfinate?
The canonical SMILES for 3-azidopropane-1-sulfinate is [N-]=[N+]=NCCCS(=O)[O-].
What is the InChIKey of 3-azidopropane-1-sulfinate?
The InChIKey is VOOOIOGYSDHOBL-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7N3O2S/c4-6-5-2-1-3-9(7)8/h1-3H2,(H,7,8)/p-1.
What are the key properties of 3-azidopropane-1-sulfinate?
3-azidopropane-1-sulfinate has a molecular weight of 148.17 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azidopropane-1-sulfinate is sourced from PubChem (CID 152765724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).