1-(2-hydroxyethyl)cyclopropane-1-sulfonic acid

C5H10O4S — CID 88879313

IUPAC1-(2-hydroxyethyl)cyclopropane-1-sulfonic acid
SMILESO=S(=O)(O)C1(CCO)CC1
InChIInChI=1S/C5H10O4S/c6-4-3-5(1-2-5)10(7,8)9/h6H,1-4H2,(H,7,8,9)
InChIKeyYVRZSDRQLFTYRR-UHFFFAOYSA-N
MW166.20 g/mol
LogP-0.21
Rot. Bonds3

About 1-(2-hydroxyethyl)cyclopropane-1-sulfonic acid

1-(2-hydroxyethyl)cyclopropane-1-sulfonic acid (PubChem CID 88879313) has the molecular formula C5H10O4S and a molecular weight of 166.20 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)cyclopropane-1-sulfonic acid.

Molecular Properties

Compound Name1-(2-hydroxyethyl)cyclopropane-1-sulfonic acid
PubChem CID88879313
Molecular FormulaC5H10O4S
Molecular Weight166.20 g/mol
Exact Mass166.03
IUPAC Name1-(2-hydroxyethyl)cyclopropane-1-sulfonic acid
SMILESO=S(=O)(O)C1(CCO)CC1
InChIInChI=1S/C5H10O4S/c6-4-3-5(1-2-5)10(7,8)9/h6H,1-4H2,(H,7,8,9)
InChIKeyYVRZSDRQLFTYRR-UHFFFAOYSA-N
XLogP-0.21
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-(2-hydroxyethyl)cyclopropane-1-sulfonic acid?
The IUPAC name of 1-(2-hydroxyethyl)cyclopropane-1-sulfonic acid (CID 88879313) is 1-(2-hydroxyethyl)cyclopropane-1-sulfonic acid.
What is the SMILES notation for 1-(2-hydroxyethyl)cyclopropane-1-sulfonic acid?
The canonical SMILES for 1-(2-hydroxyethyl)cyclopropane-1-sulfonic acid is O=S(=O)(O)C1(CCO)CC1.
What is the InChIKey of 1-(2-hydroxyethyl)cyclopropane-1-sulfonic acid?
The InChIKey is YVRZSDRQLFTYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4S/c6-4-3-5(1-2-5)10(7,8)9/h6H,1-4H2,(H,7,8,9).
What are the key properties of 1-(2-hydroxyethyl)cyclopropane-1-sulfonic acid?
1-(2-hydroxyethyl)cyclopropane-1-sulfonic acid has a molecular weight of 166.20 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)cyclopropane-1-sulfonic acid is sourced from PubChem (CID 88879313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).