diazanium;morpholine;sulfate

C4H17N3O5S — CID 159596744

IUPACdiazanium;morpholine;sulfate
SMILESC1COCCN1.O=S(=O)([O-])[O-].[NH4+].[NH4+]
InChIInChI=1S/C4H9NO.2H3N.H2O4S/c1-3-6-4-2-5-1;;;1-5(2,3)4/h5H,1-4H2;2*1H3;(H2,1,2,3,4)
InChIKeyMKYGNCBKQAWJJD-UHFFFAOYSA-N
MW219.26 g/mol
LogP-0.98
Rot. Bonds

About diazanium;morpholine;sulfate

diazanium;morpholine;sulfate (PubChem CID 159596744) has the molecular formula C4H17N3O5S and a molecular weight of 219.26 g/mol. Its IUPAC name is diazanium;morpholine;sulfate.

Molecular Properties

Compound Namediazanium;morpholine;sulfate
PubChem CID159596744
Molecular FormulaC4H17N3O5S
Molecular Weight219.26 g/mol
Exact Mass219.09
IUPAC Namediazanium;morpholine;sulfate
SMILESC1COCCN1.O=S(=O)([O-])[O-].[NH4+].[NH4+]
InChIInChI=1S/C4H9NO.2H3N.H2O4S/c1-3-6-4-2-5-1;;;1-5(2,3)4/h5H,1-4H2;2*1H3;(H2,1,2,3,4)
InChIKeyMKYGNCBKQAWJJD-UHFFFAOYSA-N
XLogP-0.98
TPSA174.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diazanium;morpholine;sulfate?
The IUPAC name of diazanium;morpholine;sulfate (CID 159596744) is diazanium;morpholine;sulfate.
What is the SMILES notation for diazanium;morpholine;sulfate?
The canonical SMILES for diazanium;morpholine;sulfate is C1COCCN1.O=S(=O)([O-])[O-].[NH4+].[NH4+].
What is the InChIKey of diazanium;morpholine;sulfate?
The InChIKey is MKYGNCBKQAWJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.2H3N.H2O4S/c1-3-6-4-2-5-1;;;1-5(2,3)4/h5H,1-4H2;2*1H3;(H2,1,2,3,4).
What are the key properties of diazanium;morpholine;sulfate?
diazanium;morpholine;sulfate has a molecular weight of 219.26 g/mol, XLogP of -0.98, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;morpholine;sulfate is sourced from PubChem (CID 159596744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).