2-hydroxymorpholine-3-sulfonic acid

C4H9NO5S — CID 100916950

IUPAC2-hydroxymorpholine-3-sulfonic acid
SMILESO=S(=O)(O)C1NCCOC1O
InChIInChI=1S/C4H9NO5S/c6-4-3(11(7,8)9)5-1-2-10-4/h3-6H,1-2H2,(H,7,8,9)
InChIKeyQCNSWVXFCKDQSA-UHFFFAOYSA-N
MW183.18 g/mol
LogP-1.86
Rot. Bonds1

About 2-hydroxymorpholine-3-sulfonic acid

2-hydroxymorpholine-3-sulfonic acid (PubChem CID 100916950) has the molecular formula C4H9NO5S and a molecular weight of 183.18 g/mol. Its IUPAC name is 2-hydroxymorpholine-3-sulfonic acid.

Molecular Properties

Compound Name2-hydroxymorpholine-3-sulfonic acid
PubChem CID100916950
Molecular FormulaC4H9NO5S
Molecular Weight183.18 g/mol
Exact Mass183.02
IUPAC Name2-hydroxymorpholine-3-sulfonic acid
SMILESO=S(=O)(O)C1NCCOC1O
InChIInChI=1S/C4H9NO5S/c6-4-3(11(7,8)9)5-1-2-10-4/h3-6H,1-2H2,(H,7,8,9)
InChIKeyQCNSWVXFCKDQSA-UHFFFAOYSA-N
XLogP-1.86
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
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-hydroxymorpholine-3-sulfonic acid?
The IUPAC name of 2-hydroxymorpholine-3-sulfonic acid (CID 100916950) is 2-hydroxymorpholine-3-sulfonic acid.
What is the SMILES notation for 2-hydroxymorpholine-3-sulfonic acid?
The canonical SMILES for 2-hydroxymorpholine-3-sulfonic acid is O=S(=O)(O)C1NCCOC1O.
What is the InChIKey of 2-hydroxymorpholine-3-sulfonic acid?
The InChIKey is QCNSWVXFCKDQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO5S/c6-4-3(11(7,8)9)5-1-2-10-4/h3-6H,1-2H2,(H,7,8,9).
What are the key properties of 2-hydroxymorpholine-3-sulfonic acid?
2-hydroxymorpholine-3-sulfonic acid has a molecular weight of 183.18 g/mol, XLogP of -1.86, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxymorpholine-3-sulfonic acid is sourced from PubChem (CID 100916950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).