2-hydroxy-2-morpholin-4-ylpropane-1-sulfonic acid

C7H15NO5S — CID 10130749

IUPAC2-hydroxy-2-morpholin-4-ylpropane-1-sulfonic acid
SMILESCC(O)(CS(=O)(=O)O)N1CCOCC1
InChIInChI=1S/C7H15NO5S/c1-7(9,6-14(10,11)12)8-2-4-13-5-3-8/h9H,2-6H2,1H3,(H,10,11,12)
InChIKeyCDTWZWNRMIGMKH-UHFFFAOYSA-N
MW225.27 g/mol
LogP-1.09
Rot. Bonds3

About 2-hydroxy-2-morpholin-4-ylpropane-1-sulfonic acid

2-hydroxy-2-morpholin-4-ylpropane-1-sulfonic acid (PubChem CID 10130749) has the molecular formula C7H15NO5S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-hydroxy-2-morpholin-4-ylpropane-1-sulfonic acid.

Molecular Properties

Compound Name2-hydroxy-2-morpholin-4-ylpropane-1-sulfonic acid
PubChem CID10130749
Molecular FormulaC7H15NO5S
Molecular Weight225.27 g/mol
Exact Mass225.07
IUPAC Name2-hydroxy-2-morpholin-4-ylpropane-1-sulfonic acid
SMILESCC(O)(CS(=O)(=O)O)N1CCOCC1
InChIInChI=1S/C7H15NO5S/c1-7(9,6-14(10,11)12)8-2-4-13-5-3-8/h9H,2-6H2,1H3,(H,10,11,12)
InChIKeyCDTWZWNRMIGMKH-UHFFFAOYSA-N
XLogP-1.09
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 5-1.09
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 2-hydroxy-2-morpholin-4-ylpropane-1-sulfonic acid?
The IUPAC name of 2-hydroxy-2-morpholin-4-ylpropane-1-sulfonic acid (CID 10130749) is 2-hydroxy-2-morpholin-4-ylpropane-1-sulfonic acid.
What is the SMILES notation for 2-hydroxy-2-morpholin-4-ylpropane-1-sulfonic acid?
The canonical SMILES for 2-hydroxy-2-morpholin-4-ylpropane-1-sulfonic acid is CC(O)(CS(=O)(=O)O)N1CCOCC1.
What is the InChIKey of 2-hydroxy-2-morpholin-4-ylpropane-1-sulfonic acid?
The InChIKey is CDTWZWNRMIGMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO5S/c1-7(9,6-14(10,11)12)8-2-4-13-5-3-8/h9H,2-6H2,1H3,(H,10,11,12).
What are the key properties of 2-hydroxy-2-morpholin-4-ylpropane-1-sulfonic acid?
2-hydroxy-2-morpholin-4-ylpropane-1-sulfonic acid has a molecular weight of 225.27 g/mol, XLogP of -1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-morpholin-4-ylpropane-1-sulfonic acid is sourced from PubChem (CID 10130749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).