3-(2-thiophen-3-yloxyethoxy)propane-1-sulfonic acid

C9H14O5S2 — CID 23361621

IUPAC3-(2-thiophen-3-yloxyethoxy)propane-1-sulfonic acid
SMILESO=S(=O)(O)CCCOCCOc1ccsc1
InChIInChI=1S/C9H14O5S2/c10-16(11,12)7-1-3-13-4-5-14-9-2-6-15-8-9/h2,6,8H,1,3-5,7H2,(H,10,11,12)
InChIKeyFZVNDYKTPJWHCU-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.42
Rot. Bonds8

About 3-(2-thiophen-3-yloxyethoxy)propane-1-sulfonic acid

3-(2-thiophen-3-yloxyethoxy)propane-1-sulfonic acid (PubChem CID 23361621) has the molecular formula C9H14O5S2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(2-thiophen-3-yloxyethoxy)propane-1-sulfonic acid.

Molecular Properties

Compound Name3-(2-thiophen-3-yloxyethoxy)propane-1-sulfonic acid
PubChem CID23361621
Molecular FormulaC9H14O5S2
Molecular Weight266.34 g/mol
Exact Mass266.03
IUPAC Name3-(2-thiophen-3-yloxyethoxy)propane-1-sulfonic acid
SMILESO=S(=O)(O)CCCOCCOc1ccsc1
InChIInChI=1S/C9H14O5S2/c10-16(11,12)7-1-3-13-4-5-14-9-2-6-15-8-9/h2,6,8H,1,3-5,7H2,(H,10,11,12)
InChIKeyFZVNDYKTPJWHCU-UHFFFAOYSA-N
XLogP1.42
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-thiophen-3-yloxyethoxy)propane-1-sulfonic 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 3-(2-thiophen-3-yloxyethoxy)propane-1-sulfonic acid?
The IUPAC name of 3-(2-thiophen-3-yloxyethoxy)propane-1-sulfonic acid (CID 23361621) is 3-(2-thiophen-3-yloxyethoxy)propane-1-sulfonic acid.
What is the SMILES notation for 3-(2-thiophen-3-yloxyethoxy)propane-1-sulfonic acid?
The canonical SMILES for 3-(2-thiophen-3-yloxyethoxy)propane-1-sulfonic acid is O=S(=O)(O)CCCOCCOc1ccsc1.
What is the InChIKey of 3-(2-thiophen-3-yloxyethoxy)propane-1-sulfonic acid?
The InChIKey is FZVNDYKTPJWHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O5S2/c10-16(11,12)7-1-3-13-4-5-14-9-2-6-15-8-9/h2,6,8H,1,3-5,7H2,(H,10,11,12).
What are the key properties of 3-(2-thiophen-3-yloxyethoxy)propane-1-sulfonic acid?
3-(2-thiophen-3-yloxyethoxy)propane-1-sulfonic acid has a molecular weight of 266.34 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-3-yloxyethoxy)propane-1-sulfonic acid is sourced from PubChem (CID 23361621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).