4-(sulfinatoamino)morpholine

C4H9N2O3S- — CID 22709245

IUPAC4-(sulfinatoamino)morpholine
SMILESO=S([O-])NN1CCOCC1
InChIInChI=1S/C4H10N2O3S/c7-10(8)5-6-1-3-9-4-2-6/h5H,1-4H2,(H,7,8)/p-1
InChIKeyAFDVWOQOAQFIEN-UHFFFAOYSA-M
MW165.19 g/mol
LogP-1.38
Rot. Bonds2

About 4-(sulfinatoamino)morpholine

4-(sulfinatoamino)morpholine (PubChem CID 22709245) has the molecular formula C4H9N2O3S- and a molecular weight of 165.19 g/mol. Its IUPAC name is 4-(sulfinatoamino)morpholine.

Molecular Properties

Compound Name4-(sulfinatoamino)morpholine
PubChem CID22709245
Molecular FormulaC4H9N2O3S-
Molecular Weight165.19 g/mol
Exact Mass165.03
IUPAC Name4-(sulfinatoamino)morpholine
SMILESO=S([O-])NN1CCOCC1
InChIInChI=1S/C4H10N2O3S/c7-10(8)5-6-1-3-9-4-2-6/h5H,1-4H2,(H,7,8)/p-1
InChIKeyAFDVWOQOAQFIEN-UHFFFAOYSA-M
XLogP-1.38
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 5-1.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(sulfinatoamino)morpholine 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 4-(sulfinatoamino)morpholine?
The IUPAC name of 4-(sulfinatoamino)morpholine (CID 22709245) is 4-(sulfinatoamino)morpholine.
What is the SMILES notation for 4-(sulfinatoamino)morpholine?
The canonical SMILES for 4-(sulfinatoamino)morpholine is O=S([O-])NN1CCOCC1.
What is the InChIKey of 4-(sulfinatoamino)morpholine?
The InChIKey is AFDVWOQOAQFIEN-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10N2O3S/c7-10(8)5-6-1-3-9-4-2-6/h5H,1-4H2,(H,7,8)/p-1.
What are the key properties of 4-(sulfinatoamino)morpholine?
4-(sulfinatoamino)morpholine has a molecular weight of 165.19 g/mol, XLogP of -1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(sulfinatoamino)morpholine is sourced from PubChem (CID 22709245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).