1,3,5-dioxazinane-5-sulfinic acid

C3H7NO4S — CID 22570230

IUPAC1,3,5-dioxazinane-5-sulfinic acid
SMILESO=S(O)N1COCOC1
InChIInChI=1S/C3H7NO4S/c5-9(6)4-1-7-3-8-2-4/h1-3H2,(H,5,6)
InChIKeyKILIMVLBWLZTKL-UHFFFAOYSA-N
MW153.16 g/mol
LogP-0.66
Rot. Bonds1

About 1,3,5-dioxazinane-5-sulfinic acid

1,3,5-dioxazinane-5-sulfinic acid (PubChem CID 22570230) has the molecular formula C3H7NO4S and a molecular weight of 153.16 g/mol. Its IUPAC name is 1,3,5-dioxazinane-5-sulfinic acid.

Molecular Properties

Compound Name1,3,5-dioxazinane-5-sulfinic acid
PubChem CID22570230
Molecular FormulaC3H7NO4S
Molecular Weight153.16 g/mol
Exact Mass153.01
IUPAC Name1,3,5-dioxazinane-5-sulfinic acid
SMILESO=S(O)N1COCOC1
InChIInChI=1S/C3H7NO4S/c5-9(6)4-1-7-3-8-2-4/h1-3H2,(H,5,6)
InChIKeyKILIMVLBWLZTKL-UHFFFAOYSA-N
XLogP-0.66
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-dioxazinane-5-sulfinic acid?
The IUPAC name of 1,3,5-dioxazinane-5-sulfinic acid (CID 22570230) is 1,3,5-dioxazinane-5-sulfinic acid.
What is the SMILES notation for 1,3,5-dioxazinane-5-sulfinic acid?
The canonical SMILES for 1,3,5-dioxazinane-5-sulfinic acid is O=S(O)N1COCOC1.
What is the InChIKey of 1,3,5-dioxazinane-5-sulfinic acid?
The InChIKey is KILIMVLBWLZTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO4S/c5-9(6)4-1-7-3-8-2-4/h1-3H2,(H,5,6).
What are the key properties of 1,3,5-dioxazinane-5-sulfinic acid?
1,3,5-dioxazinane-5-sulfinic acid has a molecular weight of 153.16 g/mol, XLogP of -0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-dioxazinane-5-sulfinic acid is sourced from PubChem (CID 22570230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).