2-(benzenesulfinyl)-1-cyclopropylethanone

C11H12O2S — CID 64637996

IUPAC2-(benzenesulfinyl)-1-cyclopropylethanone
SMILESO=C(CS(=O)c1ccccc1)C1CC1
InChIInChI=1S/C11H12O2S/c12-11(9-6-7-9)8-14(13)10-4-2-1-3-5-10/h1-5,9H,6-8H2
InChIKeyRVMYAZCFHIOQHK-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.77
Rot. Bonds4

About 2-(benzenesulfinyl)-1-cyclopropylethanone

2-(benzenesulfinyl)-1-cyclopropylethanone (PubChem CID 64637996) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-1-cyclopropylethanone.

Molecular Properties

Compound Name2-(benzenesulfinyl)-1-cyclopropylethanone
PubChem CID64637996
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name2-(benzenesulfinyl)-1-cyclopropylethanone
SMILESO=C(CS(=O)c1ccccc1)C1CC1
InChIInChI=1S/C11H12O2S/c12-11(9-6-7-9)8-14(13)10-4-2-1-3-5-10/h1-5,9H,6-8H2
InChIKeyRVMYAZCFHIOQHK-UHFFFAOYSA-N
XLogP1.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzenesulfinyl)acetate
CID 23432658
1-cyclopropyl-2-(2-fluorophenyl)sulfinylethanone
CID 64635571
1-[(3S,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2-(benzenesulfinyl)ethanone
CID 57210221
1-cyclohexyl-2-(4-methoxyphenyl)sulfinylethanone
CID 113449619
1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)ethanone
CID 115479414
1-cyclopentyl-2-(2-fluorophenyl)sulfinylethanone
CID 104756239
2-(benzenesulfinyl)-N,N-dimethylacetamide
CID 25183887
1-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfinyl)ethanone
CID 113318636
1-cyclohexyl-2-(2-methylphenyl)sulfinylethanone
CID 113449628
2-iodoprop-2-enylsulfinylbenzene
CID 10685022
N-(2-cyclohexylethyl)-2-[(R)-phenylsulfinyl]acetamide
CID 97228059
1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinylethanone
CID 64637629

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-1-cyclopropylethanone?
The IUPAC name of 2-(benzenesulfinyl)-1-cyclopropylethanone (CID 64637996) is 2-(benzenesulfinyl)-1-cyclopropylethanone.
What is the SMILES notation for 2-(benzenesulfinyl)-1-cyclopropylethanone?
The canonical SMILES for 2-(benzenesulfinyl)-1-cyclopropylethanone is O=C(CS(=O)c1ccccc1)C1CC1.
What is the InChIKey of 2-(benzenesulfinyl)-1-cyclopropylethanone?
The InChIKey is RVMYAZCFHIOQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c12-11(9-6-7-9)8-14(13)10-4-2-1-3-5-10/h1-5,9H,6-8H2.
What are the key properties of 2-(benzenesulfinyl)-1-cyclopropylethanone?
2-(benzenesulfinyl)-1-cyclopropylethanone has a molecular weight of 208.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-1-cyclopropylethanone is sourced from PubChem (CID 64637996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).