3-(4-hydroxymorpholin-3-yl)propane-1-sulfonic acid

C7H15NO5S — CID 54076184

IUPAC3-(4-hydroxymorpholin-3-yl)propane-1-sulfonic acid
SMILESO=S(=O)(O)CCCC1COCCN1O
InChIInChI=1S/C7H15NO5S/c9-8-3-4-13-6-7(8)2-1-5-14(10,11)12/h7,9H,1-6H2,(H,10,11,12)
InChIKeyMJVTUZLDDOMEIS-UHFFFAOYSA-N
MW225.27 g/mol
LogP-0.26
Rot. Bonds4

About 3-(4-hydroxymorpholin-3-yl)propane-1-sulfonic acid

3-(4-hydroxymorpholin-3-yl)propane-1-sulfonic acid (PubChem CID 54076184) has the molecular formula C7H15NO5S and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-(4-hydroxymorpholin-3-yl)propane-1-sulfonic acid.

Molecular Properties

Compound Name3-(4-hydroxymorpholin-3-yl)propane-1-sulfonic acid
PubChem CID54076184
Molecular FormulaC7H15NO5S
Molecular Weight225.27 g/mol
Exact Mass225.07
IUPAC Name3-(4-hydroxymorpholin-3-yl)propane-1-sulfonic acid
SMILESO=S(=O)(O)CCCC1COCCN1O
InChIInChI=1S/C7H15NO5S/c9-8-3-4-13-6-7(8)2-1-5-14(10,11)12/h7,9H,1-6H2,(H,10,11,12)
InChIKeyMJVTUZLDDOMEIS-UHFFFAOYSA-N
XLogP-0.26
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 5-0.26
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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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxymorpholin-3-yl)propane-1-sulfonic acid?
The IUPAC name of 3-(4-hydroxymorpholin-3-yl)propane-1-sulfonic acid (CID 54076184) is 3-(4-hydroxymorpholin-3-yl)propane-1-sulfonic acid.
What is the SMILES notation for 3-(4-hydroxymorpholin-3-yl)propane-1-sulfonic acid?
The canonical SMILES for 3-(4-hydroxymorpholin-3-yl)propane-1-sulfonic acid is O=S(=O)(O)CCCC1COCCN1O.
What is the InChIKey of 3-(4-hydroxymorpholin-3-yl)propane-1-sulfonic acid?
The InChIKey is MJVTUZLDDOMEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO5S/c9-8-3-4-13-6-7(8)2-1-5-14(10,11)12/h7,9H,1-6H2,(H,10,11,12).
What are the key properties of 3-(4-hydroxymorpholin-3-yl)propane-1-sulfonic acid?
3-(4-hydroxymorpholin-3-yl)propane-1-sulfonic acid has a molecular weight of 225.27 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxymorpholin-3-yl)propane-1-sulfonic acid is sourced from PubChem (CID 54076184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).