3-morpholin-2-ylpropane-1-sulfonic acid

C7H15NO4S — CID 15932747

IUPAC3-morpholin-2-ylpropane-1-sulfonic acid
SMILESO=S(=O)(O)CCCC1CNCCO1
InChIInChI=1S/C7H15NO4S/c9-13(10,11)5-1-2-7-6-8-3-4-12-7/h7-8H,1-6H2,(H,9,10,11)
InChIKeyJCCMBTZJGMZRAT-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.36
Rot. Bonds4

About 3-morpholin-2-ylpropane-1-sulfonic acid

3-morpholin-2-ylpropane-1-sulfonic acid (PubChem CID 15932747) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 3-morpholin-2-ylpropane-1-sulfonic acid.

Molecular Properties

Compound Name3-morpholin-2-ylpropane-1-sulfonic acid
PubChem CID15932747
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name3-morpholin-2-ylpropane-1-sulfonic acid
SMILESO=S(=O)(O)CCCC1CNCCO1
InChIInChI=1S/C7H15NO4S/c9-13(10,11)5-1-2-7-6-8-3-4-12-7/h7-8H,1-6H2,(H,9,10,11)
InChIKeyJCCMBTZJGMZRAT-UHFFFAOYSA-N
XLogP-0.36
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.36
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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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-2-ylpropane-1-sulfonic acid?
The IUPAC name of 3-morpholin-2-ylpropane-1-sulfonic acid (CID 15932747) is 3-morpholin-2-ylpropane-1-sulfonic acid.
What is the SMILES notation for 3-morpholin-2-ylpropane-1-sulfonic acid?
The canonical SMILES for 3-morpholin-2-ylpropane-1-sulfonic acid is O=S(=O)(O)CCCC1CNCCO1.
What is the InChIKey of 3-morpholin-2-ylpropane-1-sulfonic acid?
The InChIKey is JCCMBTZJGMZRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c9-13(10,11)5-1-2-7-6-8-3-4-12-7/h7-8H,1-6H2,(H,9,10,11).
What are the key properties of 3-morpholin-2-ylpropane-1-sulfonic acid?
3-morpholin-2-ylpropane-1-sulfonic acid has a molecular weight of 209.27 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-2-ylpropane-1-sulfonic acid is sourced from PubChem (CID 15932747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).