5-[(4-fluorophenyl)sulfonylmethyl]oxolane-3-thiol

C11H13FO3S2 — CID 18923969

IUPAC5-[(4-fluorophenyl)sulfonylmethyl]oxolane-3-thiol
SMILESO=S(=O)(CC1CC(S)CO1)c1ccc(F)cc1
InChIInChI=1S/C11H13FO3S2/c12-8-1-3-11(4-2-8)17(13,14)7-9-5-10(16)6-15-9/h1-4,9-10,16H,5-7H2
InChIKeyXOSAGDUCOMKUMA-UHFFFAOYSA-N
MW276.35 g/mol
LogP1.69
Rot. Bonds3

About 5-[(4-fluorophenyl)sulfonylmethyl]oxolane-3-thiol

5-[(4-fluorophenyl)sulfonylmethyl]oxolane-3-thiol (PubChem CID 18923969) has the molecular formula C11H13FO3S2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)sulfonylmethyl]oxolane-3-thiol.

Molecular Properties

Compound Name5-[(4-fluorophenyl)sulfonylmethyl]oxolane-3-thiol
PubChem CID18923969
Molecular FormulaC11H13FO3S2
Molecular Weight276.35 g/mol
Exact Mass276.03
IUPAC Name5-[(4-fluorophenyl)sulfonylmethyl]oxolane-3-thiol
SMILESO=S(=O)(CC1CC(S)CO1)c1ccc(F)cc1
InChIInChI=1S/C11H13FO3S2/c12-8-1-3-11(4-2-8)17(13,14)7-9-5-10(16)6-15-9/h1-4,9-10,16H,5-7H2
InChIKeyXOSAGDUCOMKUMA-UHFFFAOYSA-N
XLogP1.69
TPSA43.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 5-[(4-fluorophenyl)sulfonylmethyl]oxolane-3-thiol 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 5-[(4-fluorophenyl)sulfonylmethyl]oxolane-3-thiol?
The IUPAC name of 5-[(4-fluorophenyl)sulfonylmethyl]oxolane-3-thiol (CID 18923969) is 5-[(4-fluorophenyl)sulfonylmethyl]oxolane-3-thiol.
What is the SMILES notation for 5-[(4-fluorophenyl)sulfonylmethyl]oxolane-3-thiol?
The canonical SMILES for 5-[(4-fluorophenyl)sulfonylmethyl]oxolane-3-thiol is O=S(=O)(CC1CC(S)CO1)c1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)sulfonylmethyl]oxolane-3-thiol?
The InChIKey is XOSAGDUCOMKUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3S2/c12-8-1-3-11(4-2-8)17(13,14)7-9-5-10(16)6-15-9/h1-4,9-10,16H,5-7H2.
What are the key properties of 5-[(4-fluorophenyl)sulfonylmethyl]oxolane-3-thiol?
5-[(4-fluorophenyl)sulfonylmethyl]oxolane-3-thiol has a molecular weight of 276.35 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)sulfonylmethyl]oxolane-3-thiol is sourced from PubChem (CID 18923969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).