1-(furan-2-yl)-2-(3-methylbutan-2-ylsulfonyl)ethanone

C11H16O4S — CID 107767579

IUPAC1-(furan-2-yl)-2-(3-methylbutan-2-ylsulfonyl)ethanone
SMILESCC(C)C(C)S(=O)(=O)CC(=O)c1ccco1
InChIInChI=1S/C11H16O4S/c1-8(2)9(3)16(13,14)7-10(12)11-5-4-6-15-11/h4-6,8-9H,7H2,1-3H3
InChIKeyNJOFPPGMUMBFNR-UHFFFAOYSA-N
MW244.31 g/mol
LogP1.92
Rot. Bonds5

About 1-(furan-2-yl)-2-(3-methylbutan-2-ylsulfonyl)ethanone

1-(furan-2-yl)-2-(3-methylbutan-2-ylsulfonyl)ethanone (PubChem CID 107767579) has the molecular formula C11H16O4S and a molecular weight of 244.31 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(3-methylbutan-2-ylsulfonyl)ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-(3-methylbutan-2-ylsulfonyl)ethanone
PubChem CID107767579
Molecular FormulaC11H16O4S
Molecular Weight244.31 g/mol
Exact Mass244.08
IUPAC Name1-(furan-2-yl)-2-(3-methylbutan-2-ylsulfonyl)ethanone
SMILESCC(C)C(C)S(=O)(=O)CC(=O)c1ccco1
InChIInChI=1S/C11H16O4S/c1-8(2)9(3)16(13,14)7-10(12)11-5-4-6-15-11/h4-6,8-9H,7H2,1-3H3
InChIKeyNJOFPPGMUMBFNR-UHFFFAOYSA-N
XLogP1.92
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 62875308
[2-(furan-2-yl)-2-oxoethyl] methanesulfonate
CID 14292729
1-(furan-2-yl)-2-(2-methylpropoxy)ethanone
CID 43798717
2-(4-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone
CID 64643102
2-(2-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone
CID 64642534
1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione
CID 15262340
ethane;1-(furan-2-yl)butane-1,3-dione
CID 145463409
1-(furan-2-yl)-2-[4-(trifluoromethyl)phenyl]sulfonylethanone
CID 106584717
calcium;1-(furan-2-yl)butane-1,3-dione;hydride
CID 173386868
2-(furan-2-yl)-2-oxoethanethioic S-acid
CID 171037460
1-(furan-2-yl)-3-[(2-methyl-1-phenylpropyl)amino]propan-1-one
CID 70926690
1-(furan-2-yl)-2-(2-methylsulfonylethylsulfanyl)ethanone
CID 63659050

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-(3-methylbutan-2-ylsulfonyl)ethanone?
The IUPAC name of 1-(furan-2-yl)-2-(3-methylbutan-2-ylsulfonyl)ethanone (CID 107767579) is 1-(furan-2-yl)-2-(3-methylbutan-2-ylsulfonyl)ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-(3-methylbutan-2-ylsulfonyl)ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-(3-methylbutan-2-ylsulfonyl)ethanone is CC(C)C(C)S(=O)(=O)CC(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-(3-methylbutan-2-ylsulfonyl)ethanone?
The InChIKey is NJOFPPGMUMBFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4S/c1-8(2)9(3)16(13,14)7-10(12)11-5-4-6-15-11/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 1-(furan-2-yl)-2-(3-methylbutan-2-ylsulfonyl)ethanone?
1-(furan-2-yl)-2-(3-methylbutan-2-ylsulfonyl)ethanone has a molecular weight of 244.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-(3-methylbutan-2-ylsulfonyl)ethanone is sourced from PubChem (CID 107767579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).