oxaziridine-2-sulfinate

CH2NO3S- — CID 56984652

IUPACoxaziridine-2-sulfinate
SMILESO=S([O-])N1CO1
InChIInChI=1S/CH3NO3S/c3-6(4)2-1-5-2/h1H2,(H,3,4)/p-1
InChIKeyHERLVRLHRGAADN-UHFFFAOYSA-M
MW108.10 g/mol
LogP-1.01
Rot. Bonds1

About oxaziridine-2-sulfinate

oxaziridine-2-sulfinate (PubChem CID 56984652) has the molecular formula CH2NO3S- and a molecular weight of 108.10 g/mol. Its IUPAC name is oxaziridine-2-sulfinate.

Molecular Properties

Compound Nameoxaziridine-2-sulfinate
PubChem CID56984652
Molecular FormulaCH2NO3S-
Molecular Weight108.10 g/mol
Exact Mass107.98
IUPAC Nameoxaziridine-2-sulfinate
SMILESO=S([O-])N1CO1
InChIInChI=1S/CH3NO3S/c3-6(4)2-1-5-2/h1H2,(H,3,4)/p-1
InChIKeyHERLVRLHRGAADN-UHFFFAOYSA-M
XLogP-1.01
TPSA55.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.10
LogP ≤ 5-1.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxaziridine-2-sulfinate?
The IUPAC name of oxaziridine-2-sulfinate (CID 56984652) is oxaziridine-2-sulfinate.
What is the SMILES notation for oxaziridine-2-sulfinate?
The canonical SMILES for oxaziridine-2-sulfinate is O=S([O-])N1CO1.
What is the InChIKey of oxaziridine-2-sulfinate?
The InChIKey is HERLVRLHRGAADN-UHFFFAOYSA-M. The full InChI is InChI=1S/CH3NO3S/c3-6(4)2-1-5-2/h1H2,(H,3,4)/p-1.
What are the key properties of oxaziridine-2-sulfinate?
oxaziridine-2-sulfinate has a molecular weight of 108.10 g/mol, XLogP of -1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxaziridine-2-sulfinate is sourced from PubChem (CID 56984652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).