2-ethylsulfonyl-1-thiophen-2-ylpropan-1-one

C9H12O3S2 — CID 134929111

IUPAC2-ethylsulfonyl-1-thiophen-2-ylpropan-1-one
SMILESCCS(=O)(=O)C(C)C(=O)c1cccs1
InChIInChI=1S/C9H12O3S2/c1-3-14(11,12)7(2)9(10)8-5-4-6-13-8/h4-7H,3H2,1-2H3
InChIKeyIBCBXUMOWMBMFR-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.75
Rot. Bonds4

About 2-ethylsulfonyl-1-thiophen-2-ylpropan-1-one

2-ethylsulfonyl-1-thiophen-2-ylpropan-1-one (PubChem CID 134929111) has the molecular formula C9H12O3S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-ethylsulfonyl-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name2-ethylsulfonyl-1-thiophen-2-ylpropan-1-one
PubChem CID134929111
Molecular FormulaC9H12O3S2
Molecular Weight232.33 g/mol
Exact Mass232.02
IUPAC Name2-ethylsulfonyl-1-thiophen-2-ylpropan-1-one
SMILESCCS(=O)(=O)C(C)C(=O)c1cccs1
InChIInChI=1S/C9H12O3S2/c1-3-14(11,12)7(2)9(10)8-5-4-6-13-8/h4-7H,3H2,1-2H3
InChIKeyIBCBXUMOWMBMFR-UHFFFAOYSA-N
XLogP1.75
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 2-ethylsulfonyl-1-thiophen-2-ylpropan-1-one (CID 134929111) is 2-ethylsulfonyl-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 2-ethylsulfonyl-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 2-ethylsulfonyl-1-thiophen-2-ylpropan-1-one is CCS(=O)(=O)C(C)C(=O)c1cccs1.
What is the InChIKey of 2-ethylsulfonyl-1-thiophen-2-ylpropan-1-one?
The InChIKey is IBCBXUMOWMBMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3S2/c1-3-14(11,12)7(2)9(10)8-5-4-6-13-8/h4-7H,3H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-1-thiophen-2-ylpropan-1-one?
2-ethylsulfonyl-1-thiophen-2-ylpropan-1-one has a molecular weight of 232.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 134929111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).