5-sulfopentanoic acid

C5H10O5S — CID 15986686

IUPAC5-sulfopentanoic acid
SMILESO=C(O)CCCCS(=O)(=O)O
InChIInChI=1S/C5H10O5S/c6-5(7)3-1-2-4-11(8,9)10/h1-4H2,(H,6,7)(H,8,9,10)
InChIKeyWMAZPKZPRMNATL-UHFFFAOYSA-N
MW182.20 g/mol
LogP0.13
Rot. Bonds5

About 5-sulfopentanoic acid

5-sulfopentanoic acid (PubChem CID 15986686) has the molecular formula C5H10O5S and a molecular weight of 182.20 g/mol. Its IUPAC name is 5-sulfopentanoic acid.

Molecular Properties

Compound Name5-sulfopentanoic acid
PubChem CID15986686
Molecular FormulaC5H10O5S
Molecular Weight182.20 g/mol
Exact Mass182.02
IUPAC Name5-sulfopentanoic acid
SMILESO=C(O)CCCCS(=O)(=O)O
InChIInChI=1S/C5H10O5S/c6-5(7)3-1-2-4-11(8,9)10/h1-4H2,(H,6,7)(H,8,9,10)
InChIKeyWMAZPKZPRMNATL-UHFFFAOYSA-N
XLogP0.13
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-sulfopentanoic acid?
The IUPAC name of 5-sulfopentanoic acid (CID 15986686) is 5-sulfopentanoic acid.
What is the SMILES notation for 5-sulfopentanoic acid?
The canonical SMILES for 5-sulfopentanoic acid is O=C(O)CCCCS(=O)(=O)O.
What is the InChIKey of 5-sulfopentanoic acid?
The InChIKey is WMAZPKZPRMNATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O5S/c6-5(7)3-1-2-4-11(8,9)10/h1-4H2,(H,6,7)(H,8,9,10).
What are the key properties of 5-sulfopentanoic acid?
5-sulfopentanoic acid has a molecular weight of 182.20 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfopentanoic acid is sourced from PubChem (CID 15986686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).