morpholine;sulfurous acid

C4H11NO4S — CID 3059064

IUPACmorpholine;sulfurous acid
SMILESC1COCCN1.O=S(O)O
InChIInChI=1S/C4H9NO.H2O3S/c1-3-6-4-2-5-1;1-4(2)3/h5H,1-4H2;(H2,1,2,3)
InChIKeyXPTXNFRHSBIBGZ-UHFFFAOYSA-N
MW169.20 g/mol
LogP-0.71
Rot. Bonds

About morpholine;sulfurous acid

morpholine;sulfurous acid (PubChem CID 3059064) has the molecular formula C4H11NO4S and a molecular weight of 169.20 g/mol. Its IUPAC name is morpholine;sulfurous acid.

Molecular Properties

Compound Namemorpholine;sulfurous acid
PubChem CID3059064
Molecular FormulaC4H11NO4S
Molecular Weight169.20 g/mol
Exact Mass169.04
IUPAC Namemorpholine;sulfurous acid
SMILESC1COCCN1.O=S(O)O
InChIInChI=1S/C4H9NO.H2O3S/c1-3-6-4-2-5-1;1-4(2)3/h5H,1-4H2;(H2,1,2,3)
InChIKeyXPTXNFRHSBIBGZ-UHFFFAOYSA-N
XLogP-0.71
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze morpholine;sulfurous acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of morpholine;sulfurous acid?
The IUPAC name of morpholine;sulfurous acid (CID 3059064) is morpholine;sulfurous acid.
What is the SMILES notation for morpholine;sulfurous acid?
The canonical SMILES for morpholine;sulfurous acid is C1COCCN1.O=S(O)O.
What is the InChIKey of morpholine;sulfurous acid?
The InChIKey is XPTXNFRHSBIBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.H2O3S/c1-3-6-4-2-5-1;1-4(2)3/h5H,1-4H2;(H2,1,2,3).
What are the key properties of morpholine;sulfurous acid?
morpholine;sulfurous acid has a molecular weight of 169.20 g/mol, XLogP of -0.71, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;sulfurous acid is sourced from PubChem (CID 3059064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).