4-methoxy-5-thiophen-2-ylsulfonylpentan-2-one

C10H14O4S2 — CID 20758372

IUPAC4-methoxy-5-thiophen-2-ylsulfonylpentan-2-one
SMILESCOC(CC(C)=O)CS(=O)(=O)c1cccs1
InChIInChI=1S/C10H14O4S2/c1-8(11)6-9(14-2)7-16(12,13)10-4-3-5-15-10/h3-5,9H,6-7H2,1-2H3
InChIKeyMJWSHPXAWWVOKW-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.52
Rot. Bonds6

About 4-methoxy-5-thiophen-2-ylsulfonylpentan-2-one

4-methoxy-5-thiophen-2-ylsulfonylpentan-2-one (PubChem CID 20758372) has the molecular formula C10H14O4S2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-methoxy-5-thiophen-2-ylsulfonylpentan-2-one.

Molecular Properties

Compound Name4-methoxy-5-thiophen-2-ylsulfonylpentan-2-one
PubChem CID20758372
Molecular FormulaC10H14O4S2
Molecular Weight262.35 g/mol
Exact Mass262.03
IUPAC Name4-methoxy-5-thiophen-2-ylsulfonylpentan-2-one
SMILESCOC(CC(C)=O)CS(=O)(=O)c1cccs1
InChIInChI=1S/C10H14O4S2/c1-8(11)6-9(14-2)7-16(12,13)10-4-3-5-15-10/h3-5,9H,6-7H2,1-2H3
InChIKeyMJWSHPXAWWVOKW-UHFFFAOYSA-N
XLogP1.52
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-5-thiophen-2-ylsulfonylpentan-2-one 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 4-methoxy-5-thiophen-2-ylsulfonylpentan-2-one?
The IUPAC name of 4-methoxy-5-thiophen-2-ylsulfonylpentan-2-one (CID 20758372) is 4-methoxy-5-thiophen-2-ylsulfonylpentan-2-one.
What is the SMILES notation for 4-methoxy-5-thiophen-2-ylsulfonylpentan-2-one?
The canonical SMILES for 4-methoxy-5-thiophen-2-ylsulfonylpentan-2-one is COC(CC(C)=O)CS(=O)(=O)c1cccs1.
What is the InChIKey of 4-methoxy-5-thiophen-2-ylsulfonylpentan-2-one?
The InChIKey is MJWSHPXAWWVOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4S2/c1-8(11)6-9(14-2)7-16(12,13)10-4-3-5-15-10/h3-5,9H,6-7H2,1-2H3.
What are the key properties of 4-methoxy-5-thiophen-2-ylsulfonylpentan-2-one?
4-methoxy-5-thiophen-2-ylsulfonylpentan-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-thiophen-2-ylsulfonylpentan-2-one is sourced from PubChem (CID 20758372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).