2-morpholin-4-ium-4-ylethanesulfonic acid

C6H14NO4S+ — CID 56973537

IUPAC2-morpholin-4-ium-4-ylethanesulfonic acid
SMILESO=S(=O)(O)CC[NH+]1CCOCC1
InChIInChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)/p+1
InChIKeySXGZJKUKBWWHRA-UHFFFAOYSA-O
MW196.25 g/mol
LogP-2.21
Rot. Bonds3

About 2-morpholin-4-ium-4-ylethanesulfonic acid

2-morpholin-4-ium-4-ylethanesulfonic acid (PubChem CID 56973537) has the molecular formula C6H14NO4S+ and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-morpholin-4-ium-4-ylethanesulfonic acid.

Molecular Properties

Compound Name2-morpholin-4-ium-4-ylethanesulfonic acid
PubChem CID56973537
Molecular FormulaC6H14NO4S+
Molecular Weight196.25 g/mol
Exact Mass196.06
IUPAC Name2-morpholin-4-ium-4-ylethanesulfonic acid
SMILESO=S(=O)(O)CC[NH+]1CCOCC1
InChIInChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)/p+1
InChIKeySXGZJKUKBWWHRA-UHFFFAOYSA-O
XLogP-2.21
TPSA68.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-2.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-morpholin-4-ium-4-ylethanesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ium-4-ylethanesulfonic acid?
The IUPAC name of 2-morpholin-4-ium-4-ylethanesulfonic acid (CID 56973537) is 2-morpholin-4-ium-4-ylethanesulfonic acid.
What is the SMILES notation for 2-morpholin-4-ium-4-ylethanesulfonic acid?
The canonical SMILES for 2-morpholin-4-ium-4-ylethanesulfonic acid is O=S(=O)(O)CC[NH+]1CCOCC1.
What is the InChIKey of 2-morpholin-4-ium-4-ylethanesulfonic acid?
The InChIKey is SXGZJKUKBWWHRA-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)/p+1.
What are the key properties of 2-morpholin-4-ium-4-ylethanesulfonic acid?
2-morpholin-4-ium-4-ylethanesulfonic acid has a molecular weight of 196.25 g/mol, XLogP of -2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ium-4-ylethanesulfonic acid is sourced from PubChem (CID 56973537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).