2-methylmorpholine-4-sulfinic acid

C5H11NO3S — CID 89262357

IUPAC2-methylmorpholine-4-sulfinic acid
SMILESCC1CN(S(=O)O)CCO1
InChIInChI=1S/C5H11NO3S/c1-5-4-6(10(7)8)2-3-9-5/h5H,2-4H2,1H3,(H,7,8)
InChIKeyGGUFPWDYXRCCQL-UHFFFAOYSA-N
MW165.21 g/mol
LogP-0.16
Rot. Bonds1

About 2-methylmorpholine-4-sulfinic acid

2-methylmorpholine-4-sulfinic acid (PubChem CID 89262357) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is 2-methylmorpholine-4-sulfinic acid.

Molecular Properties

Compound Name2-methylmorpholine-4-sulfinic acid
PubChem CID89262357
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name2-methylmorpholine-4-sulfinic acid
SMILESCC1CN(S(=O)O)CCO1
InChIInChI=1S/C5H11NO3S/c1-5-4-6(10(7)8)2-3-9-5/h5H,2-4H2,1H3,(H,7,8)
InChIKeyGGUFPWDYXRCCQL-UHFFFAOYSA-N
XLogP-0.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.16
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-methylmorpholine-4-sulfinic acid?
The IUPAC name of 2-methylmorpholine-4-sulfinic acid (CID 89262357) is 2-methylmorpholine-4-sulfinic acid.
What is the SMILES notation for 2-methylmorpholine-4-sulfinic acid?
The canonical SMILES for 2-methylmorpholine-4-sulfinic acid is CC1CN(S(=O)O)CCO1.
What is the InChIKey of 2-methylmorpholine-4-sulfinic acid?
The InChIKey is GGUFPWDYXRCCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-5-4-6(10(7)8)2-3-9-5/h5H,2-4H2,1H3,(H,7,8).
What are the key properties of 2-methylmorpholine-4-sulfinic acid?
2-methylmorpholine-4-sulfinic acid has a molecular weight of 165.21 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylmorpholine-4-sulfinic acid is sourced from PubChem (CID 89262357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).