2,3-dimethylmorpholine-4-sulfinic acid

C6H13NO3S — CID 89262144

IUPAC2,3-dimethylmorpholine-4-sulfinic acid
SMILESCC1OCCN(S(=O)O)C1C
InChIInChI=1S/C6H13NO3S/c1-5-6(2)10-4-3-7(5)11(8)9/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKeyOXXSTTVLINFEJI-UHFFFAOYSA-N
MW179.24 g/mol
LogP0.23
Rot. Bonds1

About 2,3-dimethylmorpholine-4-sulfinic acid

2,3-dimethylmorpholine-4-sulfinic acid (PubChem CID 89262144) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 2,3-dimethylmorpholine-4-sulfinic acid.

Molecular Properties

Compound Name2,3-dimethylmorpholine-4-sulfinic acid
PubChem CID89262144
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name2,3-dimethylmorpholine-4-sulfinic acid
SMILESCC1OCCN(S(=O)O)C1C
InChIInChI=1S/C6H13NO3S/c1-5-6(2)10-4-3-7(5)11(8)9/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKeyOXXSTTVLINFEJI-UHFFFAOYSA-N
XLogP0.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,3-dimethylmorpholine-4-sulfinic acid?
The IUPAC name of 2,3-dimethylmorpholine-4-sulfinic acid (CID 89262144) is 2,3-dimethylmorpholine-4-sulfinic acid.
What is the SMILES notation for 2,3-dimethylmorpholine-4-sulfinic acid?
The canonical SMILES for 2,3-dimethylmorpholine-4-sulfinic acid is CC1OCCN(S(=O)O)C1C.
What is the InChIKey of 2,3-dimethylmorpholine-4-sulfinic acid?
The InChIKey is OXXSTTVLINFEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-5-6(2)10-4-3-7(5)11(8)9/h5-6H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 2,3-dimethylmorpholine-4-sulfinic acid?
2,3-dimethylmorpholine-4-sulfinic acid has a molecular weight of 179.24 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylmorpholine-4-sulfinic acid is sourced from PubChem (CID 89262144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).