3-thiophen-2-ylsulfonylbutan-2-one

C8H10O3S2 — CID 64642163

IUPAC3-thiophen-2-ylsulfonylbutan-2-one
SMILESCC(=O)C(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C8H10O3S2/c1-6(9)7(2)13(10,11)8-4-3-5-12-8/h3-5,7H,1-2H3
InChIKeyUEPPLRXOFYHURN-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.50
Rot. Bonds3

About 3-thiophen-2-ylsulfonylbutan-2-one

3-thiophen-2-ylsulfonylbutan-2-one (PubChem CID 64642163) has the molecular formula C8H10O3S2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-thiophen-2-ylsulfonylbutan-2-one.

Molecular Properties

Compound Name3-thiophen-2-ylsulfonylbutan-2-one
PubChem CID64642163
Molecular FormulaC8H10O3S2
Molecular Weight218.30 g/mol
Exact Mass218.01
IUPAC Name3-thiophen-2-ylsulfonylbutan-2-one
SMILESCC(=O)C(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C8H10O3S2/c1-6(9)7(2)13(10,11)8-4-3-5-12-8/h3-5,7H,1-2H3
InChIKeyUEPPLRXOFYHURN-UHFFFAOYSA-N
XLogP1.50
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-ylsulfonylthiophene
CID 22953694
2-methyl-3-thiophen-2-ylsulfonylbutanoic acid
CID 79391486
3-thiophen-2-ylsulfonylbutan-2-amine
CID 64645795
2-(1-ethylsulfonylethylsulfonyl)thiophene
CID 11651901
2-(difluoromethylsulfonyl)thiophene
CID 82076235
N-(4-cyanophenyl)-2-thiophen-2-ylsulfonylpropanamide
CID 64690575
methyl thiophene-2-sulfonate
CID 56986285
ethyl 2-phenyl-2-thiophen-2-ylsulfonylacetate
CID 106676969
3-amino-2-thiophen-2-ylsulfonylpropanoic acid
CID 64694450
methanol;thiophene-2-sulfonamide
CID 157397427
2-thiophen-2-ylsulfonylsulfonylthiophene
CID 141485126
N,3-dimethyl-2-thiophen-2-ylsulfonylbutan-1-amine
CID 117037755

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylsulfonylbutan-2-one?
The IUPAC name of 3-thiophen-2-ylsulfonylbutan-2-one (CID 64642163) is 3-thiophen-2-ylsulfonylbutan-2-one.
What is the SMILES notation for 3-thiophen-2-ylsulfonylbutan-2-one?
The canonical SMILES for 3-thiophen-2-ylsulfonylbutan-2-one is CC(=O)C(C)S(=O)(=O)c1cccs1.
What is the InChIKey of 3-thiophen-2-ylsulfonylbutan-2-one?
The InChIKey is UEPPLRXOFYHURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3S2/c1-6(9)7(2)13(10,11)8-4-3-5-12-8/h3-5,7H,1-2H3.
What are the key properties of 3-thiophen-2-ylsulfonylbutan-2-one?
3-thiophen-2-ylsulfonylbutan-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylsulfonylbutan-2-one is sourced from PubChem (CID 64642163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).