morpholine;sulfuric acid

C8H20N2O6S — CID 56843045

IUPACmorpholine;sulfuric acid
SMILESC1COCCN1.C1COCCN1.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-1.44
Rot. Bonds

About morpholine;sulfuric acid

morpholine;sulfuric acid (PubChem CID 56843045) has the molecular formula C8H20N2O6S and a molecular weight of 272.32 g/mol. Its IUPAC name is morpholine;sulfuric acid.

Molecular Properties

Compound Namemorpholine;sulfuric acid
PubChem CID56843045
Molecular FormulaC8H20N2O6S
Molecular Weight272.32 g/mol
Exact Mass272.10
IUPAC Namemorpholine;sulfuric acid
SMILESC1COCCN1.C1COCCN1.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-1.44
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 5-1.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Sulfamic acid, compd. with morpholine (1:1)
CID 171182
4-(Piperazine-1-sulfonyl)morpholine hydrochloride
CID 42883596
Morpholine, sulfate
CID 12196072
4-(Piperazine-1-sulfonyl)-morpholine
CID 973810
Morpholiniumsulfat
CID 67542742
Morpholinium bisulfate
CID 117605957
N-methylmorpholinium sulfate
CID 129821299
Morpholinium sulfate monohydrate
CID 132276211
Ethyl hydrogen sulfate;morpholine
CID 26529
Morpholine;hydrate
CID 17968295
Dioxido(oxo)silane;bis(morpholin-4-ium)
CID 18410427
CID 18680582
CID 18680582

Frequently Asked Questions

What is the IUPAC name of morpholine;sulfuric acid?
The IUPAC name of morpholine;sulfuric acid (CID 56843045) is morpholine;sulfuric acid.
What is the SMILES notation for morpholine;sulfuric acid?
The canonical SMILES for morpholine;sulfuric acid is C1COCCN1.C1COCCN1.O=S(=O)(O)O.
What is the InChIKey of morpholine;sulfuric acid?
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 morpholine;sulfuric acid?
morpholine;sulfuric acid has a molecular weight of 272.32 g/mol, XLogP of -1.44, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;sulfuric acid is sourced from PubChem (CID 56843045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).