4-methylmorpholine;sulfuric acid

C5H13NO5S — CID 146295231

IUPAC4-methylmorpholine;sulfuric acid
SMILESCN1CCOCC1.O=S(=O)(O)O
InChIInChI=1S/C5H11NO.H2O4S/c1-6-2-4-7-5-3-6;1-5(2,3)4/h2-5H2,1H3;(H2,1,2,3,4)
InChIKeyHDXZHVQQAPFPJT-UHFFFAOYSA-N
MW199.23 g/mol
LogP-0.70
Rot. Bonds

About 4-methylmorpholine;sulfuric acid

4-methylmorpholine;sulfuric acid (PubChem CID 146295231) has the molecular formula C5H13NO5S and a molecular weight of 199.23 g/mol. Its IUPAC name is 4-methylmorpholine;sulfuric acid.

Molecular Properties

Compound Name4-methylmorpholine;sulfuric acid
PubChem CID146295231
Molecular FormulaC5H13NO5S
Molecular Weight199.23 g/mol
Exact Mass199.05
IUPAC Name4-methylmorpholine;sulfuric acid
SMILESCN1CCOCC1.O=S(=O)(O)O
InChIInChI=1S/C5H11NO.H2O4S/c1-6-2-4-7-5-3-6;1-5(2,3)4/h2-5H2,1H3;(H2,1,2,3,4)
InChIKeyHDXZHVQQAPFPJT-UHFFFAOYSA-N
XLogP-0.70
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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ethane;4-methylmorpholine
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CID 59020799
ethane;ethanesulfonic acid;morpholine-4-sulfonic acid
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2-morpholin-4-ylsulfonylpropane-2-sulfonic acid
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4-fluoro-1-methylpiperidine;4-methylmorpholine
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Frequently Asked Questions

What is the IUPAC name of 4-methylmorpholine;sulfuric acid?
The IUPAC name of 4-methylmorpholine;sulfuric acid (CID 146295231) is 4-methylmorpholine;sulfuric acid.
What is the SMILES notation for 4-methylmorpholine;sulfuric acid?
The canonical SMILES for 4-methylmorpholine;sulfuric acid is CN1CCOCC1.O=S(=O)(O)O.
What is the InChIKey of 4-methylmorpholine;sulfuric acid?
The InChIKey is HDXZHVQQAPFPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.H2O4S/c1-6-2-4-7-5-3-6;1-5(2,3)4/h2-5H2,1H3;(H2,1,2,3,4).
What are the key properties of 4-methylmorpholine;sulfuric acid?
4-methylmorpholine;sulfuric acid has a molecular weight of 199.23 g/mol, XLogP of -0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylmorpholine;sulfuric acid is sourced from PubChem (CID 146295231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).