4-methoxy-6-thiophen-2-ylsulfonylhexan-2-one

C11H16O4S2 — CID 20758374

IUPAC4-methoxy-6-thiophen-2-ylsulfonylhexan-2-one
SMILESCOC(CCS(=O)(=O)c1cccs1)CC(C)=O
InChIInChI=1S/C11H16O4S2/c1-9(12)8-10(15-2)5-7-17(13,14)11-4-3-6-16-11/h3-4,6,10H,5,7-8H2,1-2H3
InChIKeyIQPVFZBAIODLEX-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.91
Rot. Bonds7

About 4-methoxy-6-thiophen-2-ylsulfonylhexan-2-one

4-methoxy-6-thiophen-2-ylsulfonylhexan-2-one (PubChem CID 20758374) has the molecular formula C11H16O4S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-methoxy-6-thiophen-2-ylsulfonylhexan-2-one.

Molecular Properties

Compound Name4-methoxy-6-thiophen-2-ylsulfonylhexan-2-one
PubChem CID20758374
Molecular FormulaC11H16O4S2
Molecular Weight276.38 g/mol
Exact Mass276.05
IUPAC Name4-methoxy-6-thiophen-2-ylsulfonylhexan-2-one
SMILESCOC(CCS(=O)(=O)c1cccs1)CC(C)=O
InChIInChI=1S/C11H16O4S2/c1-9(12)8-10(15-2)5-7-17(13,14)11-4-3-6-16-11/h3-4,6,10H,5,7-8H2,1-2H3
InChIKeyIQPVFZBAIODLEX-UHFFFAOYSA-N
XLogP1.91
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-thiophen-2-ylsulfonylhexan-2-one?
The IUPAC name of 4-methoxy-6-thiophen-2-ylsulfonylhexan-2-one (CID 20758374) is 4-methoxy-6-thiophen-2-ylsulfonylhexan-2-one.
What is the SMILES notation for 4-methoxy-6-thiophen-2-ylsulfonylhexan-2-one?
The canonical SMILES for 4-methoxy-6-thiophen-2-ylsulfonylhexan-2-one is COC(CCS(=O)(=O)c1cccs1)CC(C)=O.
What is the InChIKey of 4-methoxy-6-thiophen-2-ylsulfonylhexan-2-one?
The InChIKey is IQPVFZBAIODLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4S2/c1-9(12)8-10(15-2)5-7-17(13,14)11-4-3-6-16-11/h3-4,6,10H,5,7-8H2,1-2H3.
What are the key properties of 4-methoxy-6-thiophen-2-ylsulfonylhexan-2-one?
4-methoxy-6-thiophen-2-ylsulfonylhexan-2-one has a molecular weight of 276.38 g/mol, XLogP of 1.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-thiophen-2-ylsulfonylhexan-2-one is sourced from PubChem (CID 20758374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).