methylamino morpholine-4-sulfinate

C5H12N2O3S — CID 20667482

IUPACmethylamino morpholine-4-sulfinate
SMILESCNOS(=O)N1CCOCC1
InChIInChI=1S/C5H12N2O3S/c1-6-10-11(8)7-2-4-9-5-3-7/h6H,2-5H2,1H3
InChIKeyDKNMJVGLNSCNKF-UHFFFAOYSA-N
MW180.23 g/mol
LogP-0.95
Rot. Bonds3

About methylamino morpholine-4-sulfinate

methylamino morpholine-4-sulfinate (PubChem CID 20667482) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is methylamino morpholine-4-sulfinate.

Molecular Properties

Compound Namemethylamino morpholine-4-sulfinate
PubChem CID20667482
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Namemethylamino morpholine-4-sulfinate
SMILESCNOS(=O)N1CCOCC1
InChIInChI=1S/C5H12N2O3S/c1-6-10-11(8)7-2-4-9-5-3-7/h6H,2-5H2,1H3
InChIKeyDKNMJVGLNSCNKF-UHFFFAOYSA-N
XLogP-0.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylamino morpholine-4-sulfinate?
The IUPAC name of methylamino morpholine-4-sulfinate (CID 20667482) is methylamino morpholine-4-sulfinate.
What is the SMILES notation for methylamino morpholine-4-sulfinate?
The canonical SMILES for methylamino morpholine-4-sulfinate is CNOS(=O)N1CCOCC1.
What is the InChIKey of methylamino morpholine-4-sulfinate?
The InChIKey is DKNMJVGLNSCNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-6-10-11(8)7-2-4-9-5-3-7/h6H,2-5H2,1H3.
What are the key properties of methylamino morpholine-4-sulfinate?
methylamino morpholine-4-sulfinate has a molecular weight of 180.23 g/mol, XLogP of -0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino morpholine-4-sulfinate is sourced from PubChem (CID 20667482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).