morpholine-4-sulfinate

C4H8NO3S- — CID 6411636

IUPACmorpholine-4-sulfinate
SMILESO=S([O-])N1CCOCC1
InChIInChI=1S/C4H9NO3S/c6-9(7)5-1-3-8-4-2-5/h1-4H2,(H,6,7)/p-1
InChIKeyGGPXNAKFKYDIHA-UHFFFAOYSA-M
MW150.18 g/mol
LogP-0.89
Rot. Bonds1

About morpholine-4-sulfinate

morpholine-4-sulfinate (PubChem CID 6411636) has the molecular formula C4H8NO3S- and a molecular weight of 150.18 g/mol. Its IUPAC name is morpholine-4-sulfinate.

Molecular Properties

Compound Namemorpholine-4-sulfinate
PubChem CID6411636
Molecular FormulaC4H8NO3S-
Molecular Weight150.18 g/mol
Exact Mass150.02
IUPAC Namemorpholine-4-sulfinate
SMILESO=S([O-])N1CCOCC1
InChIInChI=1S/C4H9NO3S/c6-9(7)5-1-3-8-4-2-5/h1-4H2,(H,6,7)/p-1
InChIKeyGGPXNAKFKYDIHA-UHFFFAOYSA-M
XLogP-0.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 5-0.89
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 morpholine-4-sulfinate?
The IUPAC name of morpholine-4-sulfinate (CID 6411636) is morpholine-4-sulfinate.
What is the SMILES notation for morpholine-4-sulfinate?
The canonical SMILES for morpholine-4-sulfinate is O=S([O-])N1CCOCC1.
What is the InChIKey of morpholine-4-sulfinate?
The InChIKey is GGPXNAKFKYDIHA-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9NO3S/c6-9(7)5-1-3-8-4-2-5/h1-4H2,(H,6,7)/p-1.
What are the key properties of morpholine-4-sulfinate?
morpholine-4-sulfinate has a molecular weight of 150.18 g/mol, XLogP of -0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine-4-sulfinate is sourced from PubChem (CID 6411636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).