bis(morpholin-4-ium);sulfate

C8H20N2O6S — CID 67542742

IUPACbis(morpholin-4-ium);sulfate
SMILESC1COCC[NH2+]1.C1COCC[NH2+]1.O=S(=O)([O-])[O-]
InChIInChI=1S/2C4H9NO.H2O4S/c2*1-3-6-4-2-5-1;1-5(2,3)4/h2*5H,1-4H2;(H2,1,2,3,4)
InChIKeyLYJBOOIEDMKARL-UHFFFAOYSA-N
MW272.32 g/mol
LogP-4.18
Rot. Bonds

About bis(morpholin-4-ium);sulfate

bis(morpholin-4-ium);sulfate (PubChem CID 67542742) has the molecular formula C8H20N2O6S and a molecular weight of 272.32 g/mol. Its IUPAC name is bis(morpholin-4-ium);sulfate.

Molecular Properties

Compound Namebis(morpholin-4-ium);sulfate
PubChem CID67542742
Molecular FormulaC8H20N2O6S
Molecular Weight272.32 g/mol
Exact Mass272.10
IUPAC Namebis(morpholin-4-ium);sulfate
SMILESC1COCC[NH2+]1.C1COCC[NH2+]1.O=S(=O)([O-])[O-]
InChIInChI=1S/2C4H9NO.H2O4S/c2*1-3-6-4-2-5-1;1-5(2,3)4/h2*5H,1-4H2;(H2,1,2,3,4)
InChIKeyLYJBOOIEDMKARL-UHFFFAOYSA-N
XLogP-4.18
TPSA131.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 5-4.18
H-Bond Donors ≤ 52
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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Related Compounds

4,4'-Sulfonyldimorpholine
CID 219987
Morpholine, sulfate (2:1)
CID 56843045
Platinum(2+) chloride--morpholine (1/2/2)
CID 3048367
4-(Piperazine-1-sulfonyl)morpholine hydrochloride
CID 42883596
4-(Piperazine-1-sulfonyl)-morpholine
CID 973810
Morpholinoethanosulfate
CID 87331922
N-methylmorpholinium sulfate
CID 129821299
N-[2-(Piperazin-1-yl)ethyl]morpholine-4-sulfonamide
CID 43599793
Morpholin-4-ium sulfamate
CID 71438157
Morpholinium sulfate monohydrate
CID 132276211
cis-Diamminedimorpholinoplatinum(II)chloride
CID 24202186
Morpholine;hydrate
CID 17968295

Frequently Asked Questions

What is the IUPAC name of bis(morpholin-4-ium);sulfate?
The IUPAC name of bis(morpholin-4-ium);sulfate (CID 67542742) is bis(morpholin-4-ium);sulfate.
What is the SMILES notation for bis(morpholin-4-ium);sulfate?
The canonical SMILES for bis(morpholin-4-ium);sulfate is C1COCC[NH2+]1.C1COCC[NH2+]1.O=S(=O)([O-])[O-].
What is the InChIKey of bis(morpholin-4-ium);sulfate?
The InChIKey is LYJBOOIEDMKARL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9NO.H2O4S/c2*1-3-6-4-2-5-1;1-5(2,3)4/h2*5H,1-4H2;(H2,1,2,3,4).
What are the key properties of bis(morpholin-4-ium);sulfate?
bis(morpholin-4-ium);sulfate has a molecular weight of 272.32 g/mol, XLogP of -4.18, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(morpholin-4-ium);sulfate is sourced from PubChem (CID 67542742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).