1-(furan-2-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone

C11H14O4S — CID 107764333

IUPAC1-(furan-2-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone
SMILESCC1OCCC1S(=O)CC(=O)c1ccco1
InChIInChI=1S/C11H14O4S/c1-8-11(4-6-14-8)16(13)7-9(12)10-3-2-5-15-10/h2-3,5,8,11H,4,6-7H2,1H3
InChIKeyMXDOAUBBTDXDFP-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.39
Rot. Bonds4

About 1-(furan-2-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone

1-(furan-2-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone (PubChem CID 107764333) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone
PubChem CID107764333
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name1-(furan-2-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone
SMILESCC1OCCC1S(=O)CC(=O)c1ccco1
InChIInChI=1S/C11H14O4S/c1-8-11(4-6-14-8)16(13)7-9(12)10-3-2-5-15-10/h2-3,5,8,11H,4,6-7H2,1H3
InChIKeyMXDOAUBBTDXDFP-UHFFFAOYSA-N
XLogP1.39
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyloxolan-3-yl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
CID 107764219
3,3-dimethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-one
CID 107764349
2-(cyclopentylmethylsulfinyl)-1-(furan-2-yl)ethanone
CID 64639589
1-(furan-2-yl)-2-(2-methylphenyl)sulfinylethanone
CID 64639348
ethane;1-(furan-2-yl)butane-1,3-dione
CID 145463409
1-cyclopropyl-3-(furan-2-yl)propane-1,3-dione
CID 43138918
2,2-dimethyl-3-(2-methyloxolan-3-yl)sulfinylpropanoic acid
CID 107753126
3-[(2-methyloxolan-3-yl)sulfinylmethyl]-1-benzofuran-2-carboxylic acid
CID 107753106
calcium;1-(furan-2-yl)butane-1,3-dione;hydride
CID 173386868
3-fluoro-2-[(2-methyloxolan-3-yl)sulfinylmethyl]aniline
CID 107753520
1-(furan-2-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone
CID 55005039
2-[3-(2-methyloxolan-3-yl)sulfinylpropoxy]aniline
CID 107753497

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone?
The IUPAC name of 1-(furan-2-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone (CID 107764333) is 1-(furan-2-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone?
The canonical SMILES for 1-(furan-2-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone is CC1OCCC1S(=O)CC(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone?
The InChIKey is MXDOAUBBTDXDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4S/c1-8-11(4-6-14-8)16(13)7-9(12)10-3-2-5-15-10/h2-3,5,8,11H,4,6-7H2,1H3.
What are the key properties of 1-(furan-2-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone?
1-(furan-2-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone has a molecular weight of 242.30 g/mol, XLogP of 1.39, 4 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-(2-methyloxolan-3-yl)sulfinylethanone is sourced from PubChem (CID 107764333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).