5-morpholin-4-ylpentane-1-sulfonic acid

C9H19NO4S — CID 18415280

IUPAC5-morpholin-4-ylpentane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCN1CCOCC1
InChIInChI=1S/C9H19NO4S/c11-15(12,13)9-3-1-2-4-10-5-7-14-8-6-10/h1-9H2,(H,11,12,13)
InChIKeyWWQXAQSQBKYKOX-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.38
Rot. Bonds6

About 5-morpholin-4-ylpentane-1-sulfonic acid

5-morpholin-4-ylpentane-1-sulfonic acid (PubChem CID 18415280) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 5-morpholin-4-ylpentane-1-sulfonic acid.

Molecular Properties

Compound Name5-morpholin-4-ylpentane-1-sulfonic acid
PubChem CID18415280
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name5-morpholin-4-ylpentane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCN1CCOCC1
InChIInChI=1S/C9H19NO4S/c11-15(12,13)9-3-1-2-4-10-5-7-14-8-6-10/h1-9H2,(H,11,12,13)
InChIKeyWWQXAQSQBKYKOX-UHFFFAOYSA-N
XLogP0.38
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-ylpentane-1-sulfonic acid?
The IUPAC name of 5-morpholin-4-ylpentane-1-sulfonic acid (CID 18415280) is 5-morpholin-4-ylpentane-1-sulfonic acid.
What is the SMILES notation for 5-morpholin-4-ylpentane-1-sulfonic acid?
The canonical SMILES for 5-morpholin-4-ylpentane-1-sulfonic acid is O=S(=O)(O)CCCCCN1CCOCC1.
What is the InChIKey of 5-morpholin-4-ylpentane-1-sulfonic acid?
The InChIKey is WWQXAQSQBKYKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c11-15(12,13)9-3-1-2-4-10-5-7-14-8-6-10/h1-9H2,(H,11,12,13).
What are the key properties of 5-morpholin-4-ylpentane-1-sulfonic acid?
5-morpholin-4-ylpentane-1-sulfonic acid has a molecular weight of 237.32 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylpentane-1-sulfonic acid is sourced from PubChem (CID 18415280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).