ethyl hydrogen sulfate;morpholine

C6H15NO5S — CID 26529

IUPACethyl hydrogen sulfate;morpholine
SMILESC1COCCN1.CCOS(=O)(=O)O
InChIInChI=1S/C4H9NO.C2H6O4S/c1-3-6-4-2-5-1;1-2-6-7(3,4)5/h5H,1-4H2;2H2,1H3,(H,3,4,5)
InChIKeyGCLHJQAARCBHBB-UHFFFAOYSA-N
MW213.25 g/mol
LogP-0.57
Rot. Bonds2

About ethyl hydrogen sulfate;morpholine

ethyl hydrogen sulfate;morpholine (PubChem CID 26529) has the molecular formula C6H15NO5S and a molecular weight of 213.25 g/mol. Its IUPAC name is ethyl hydrogen sulfate;morpholine.

Molecular Properties

Compound Nameethyl hydrogen sulfate;morpholine
PubChem CID26529
Molecular FormulaC6H15NO5S
Molecular Weight213.25 g/mol
Exact Mass213.07
IUPAC Nameethyl hydrogen sulfate;morpholine
SMILESC1COCCN1.CCOS(=O)(=O)O
InChIInChI=1S/C4H9NO.C2H6O4S/c1-3-6-4-2-5-1;1-2-6-7(3,4)5/h5H,1-4H2;2H2,1H3,(H,3,4,5)
InChIKeyGCLHJQAARCBHBB-UHFFFAOYSA-N
XLogP-0.57
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Morpholine, sulfate (2:1)
CID 56843045
Morpholine, sulfite (1:1)
CID 3059064
Sulfamic acid, compd. with morpholine (1:1)
CID 171182
Morpholine, sulfate
CID 12196072
Morpholine ethanesulfonic acid
CID 21977417
2-(Ethylamino)ethyl hydrogen sulfate
CID 101958
Morpholinium Methosulfate
CID 19842190
Methyl Morpholinium Methosulfate
CID 20026246
Morpholine water
CID 67723360
Morpholinium bisulfate
CID 117605957
4-Methylmorpholinium hydrogen sulphate
CID 141027187
Morpholine;perchloric acid
CID 12196066

Frequently Asked Questions

What is the IUPAC name of ethyl hydrogen sulfate;morpholine?
The IUPAC name of ethyl hydrogen sulfate;morpholine (CID 26529) is ethyl hydrogen sulfate;morpholine.
What is the SMILES notation for ethyl hydrogen sulfate;morpholine?
The canonical SMILES for ethyl hydrogen sulfate;morpholine is C1COCCN1.CCOS(=O)(=O)O.
What is the InChIKey of ethyl hydrogen sulfate;morpholine?
The InChIKey is GCLHJQAARCBHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C2H6O4S/c1-3-6-4-2-5-1;1-2-6-7(3,4)5/h5H,1-4H2;2H2,1H3,(H,3,4,5).
What are the key properties of ethyl hydrogen sulfate;morpholine?
ethyl hydrogen sulfate;morpholine has a molecular weight of 213.25 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl hydrogen sulfate;morpholine is sourced from PubChem (CID 26529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).