2,6-dimethylthiomorpholine-4-sulfinate

C6H12NO2S2- — CID 23464955

IUPAC2,6-dimethylthiomorpholine-4-sulfinate
SMILESCC1CN(S(=O)[O-])CC(C)S1
InChIInChI=1S/C6H13NO2S2/c1-5-3-7(11(8)9)4-6(2)10-5/h5-6H,3-4H2,1-2H3,(H,8,9)/p-1
InChIKeyLJULCWDUISMHRM-UHFFFAOYSA-M
MW194.30 g/mol
LogP0.61
Rot. Bonds1

About 2,6-dimethylthiomorpholine-4-sulfinate

2,6-dimethylthiomorpholine-4-sulfinate (PubChem CID 23464955) has the molecular formula C6H12NO2S2- and a molecular weight of 194.30 g/mol. Its IUPAC name is 2,6-dimethylthiomorpholine-4-sulfinate.

Molecular Properties

Compound Name2,6-dimethylthiomorpholine-4-sulfinate
PubChem CID23464955
Molecular FormulaC6H12NO2S2-
Molecular Weight194.30 g/mol
Exact Mass194.03
IUPAC Name2,6-dimethylthiomorpholine-4-sulfinate
SMILESCC1CN(S(=O)[O-])CC(C)S1
InChIInChI=1S/C6H13NO2S2/c1-5-3-7(11(8)9)4-6(2)10-5/h5-6H,3-4H2,1-2H3,(H,8,9)/p-1
InChIKeyLJULCWDUISMHRM-UHFFFAOYSA-M
XLogP0.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.61
H-Bond Donors ≤ 50
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 2,6-dimethylthiomorpholine-4-sulfinate?
The IUPAC name of 2,6-dimethylthiomorpholine-4-sulfinate (CID 23464955) is 2,6-dimethylthiomorpholine-4-sulfinate.
What is the SMILES notation for 2,6-dimethylthiomorpholine-4-sulfinate?
The canonical SMILES for 2,6-dimethylthiomorpholine-4-sulfinate is CC1CN(S(=O)[O-])CC(C)S1.
What is the InChIKey of 2,6-dimethylthiomorpholine-4-sulfinate?
The InChIKey is LJULCWDUISMHRM-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13NO2S2/c1-5-3-7(11(8)9)4-6(2)10-5/h5-6H,3-4H2,1-2H3,(H,8,9)/p-1.
What are the key properties of 2,6-dimethylthiomorpholine-4-sulfinate?
2,6-dimethylthiomorpholine-4-sulfinate has a molecular weight of 194.30 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylthiomorpholine-4-sulfinate is sourced from PubChem (CID 23464955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).