azetidine;ethene;pyridine-3-sulfinate

C10H15N2O2S- — CID 171796867

IUPACazetidine;ethene;pyridine-3-sulfinate
SMILESC1CNC1.C=C.O=S([O-])c1cccnc1
InChIInChI=1S/C5H5NO2S.C3H7N.C2H4/c7-9(8)5-2-1-3-6-4-5;1-2-4-3-1;1-2/h1-4H,(H,7,8);4H,1-3H2;1-2H2/p-1
InChIKeyPBNHXDRITANOGK-UHFFFAOYSA-M
MW227.31 g/mol
LogP1.10
Rot. Bonds1

About azetidine;ethene;pyridine-3-sulfinate

azetidine;ethene;pyridine-3-sulfinate (PubChem CID 171796867) has the molecular formula C10H15N2O2S- and a molecular weight of 227.31 g/mol. Its IUPAC name is azetidine;ethene;pyridine-3-sulfinate.

Molecular Properties

Compound Nameazetidine;ethene;pyridine-3-sulfinate
PubChem CID171796867
Molecular FormulaC10H15N2O2S-
Molecular Weight227.31 g/mol
Exact Mass227.09
IUPAC Nameazetidine;ethene;pyridine-3-sulfinate
SMILESC1CNC1.C=C.O=S([O-])c1cccnc1
InChIInChI=1S/C5H5NO2S.C3H7N.C2H4/c7-9(8)5-2-1-3-6-4-5;1-2-4-3-1;1-2/h1-4H,(H,7,8);4H,1-3H2;1-2H2/p-1
InChIKeyPBNHXDRITANOGK-UHFFFAOYSA-M
XLogP1.10
TPSA65.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azetidine;ethene;pyridine-3-sulfinate?
The IUPAC name of azetidine;ethene;pyridine-3-sulfinate (CID 171796867) is azetidine;ethene;pyridine-3-sulfinate.
What is the SMILES notation for azetidine;ethene;pyridine-3-sulfinate?
The canonical SMILES for azetidine;ethene;pyridine-3-sulfinate is C1CNC1.C=C.O=S([O-])c1cccnc1.
What is the InChIKey of azetidine;ethene;pyridine-3-sulfinate?
The InChIKey is PBNHXDRITANOGK-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5NO2S.C3H7N.C2H4/c7-9(8)5-2-1-3-6-4-5;1-2-4-3-1;1-2/h1-4H,(H,7,8);4H,1-3H2;1-2H2/p-1.
What are the key properties of azetidine;ethene;pyridine-3-sulfinate?
azetidine;ethene;pyridine-3-sulfinate has a molecular weight of 227.31 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine;ethene;pyridine-3-sulfinate is sourced from PubChem (CID 171796867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).