2-(benzenesulfonyl)-1-[2-(trimethylsilylmethyl)cyclopropyl]propan-1-one

C16H24O3SSi — CID 13213448

IUPAC2-(benzenesulfonyl)-1-[2-(trimethylsilylmethyl)cyclopropyl]propan-1-one
SMILESCC(C(=O)C1CC1C[Si](C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H24O3SSi/c1-12(20(18,19)14-8-6-5-7-9-14)16(17)15-10-13(15)11-21(2,3)4/h5-9,12-13,15H,10-11H2,1-4H3
InChIKeyYKFSPZOHYHIVCT-UHFFFAOYSA-N
MW324.52 g/mol
LogP3.39
Rot. Bonds6

About 2-(benzenesulfonyl)-1-[2-(trimethylsilylmethyl)cyclopropyl]propan-1-one

2-(benzenesulfonyl)-1-[2-(trimethylsilylmethyl)cyclopropyl]propan-1-one (PubChem CID 13213448) has the molecular formula C16H24O3SSi and a molecular weight of 324.52 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-[2-(trimethylsilylmethyl)cyclopropyl]propan-1-one.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-[2-(trimethylsilylmethyl)cyclopropyl]propan-1-one
PubChem CID13213448
Molecular FormulaC16H24O3SSi
Molecular Weight324.52 g/mol
Exact Mass324.12
IUPAC Name2-(benzenesulfonyl)-1-[2-(trimethylsilylmethyl)cyclopropyl]propan-1-one
SMILESCC(C(=O)C1CC1C[Si](C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H24O3SSi/c1-12(20(18,19)14-8-6-5-7-9-14)16(17)15-10-13(15)11-21(2,3)4/h5-9,12-13,15H,10-11H2,1-4H3
InChIKeyYKFSPZOHYHIVCT-UHFFFAOYSA-N
XLogP3.39
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.52
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(E,6R)-8-(benzenesulfonyl)-2,6-dimethyloct-7-en-4-one
CID 10968413
1-(4-Methylphenyl)sulfonylhexan-2-one
CID 85649546
(4R)-4-(benzenesulfonylmethyl)-5,5-dimethylhexan-2-one
CID 134906542
2-(Benzenesulfonyl)-4-methylcyclohexan-1-one
CID 134994916
(5R)-2-(Benzenesulfinyl)-5-methylcyclohexan-1-one
CID 11118048
5-(p-Tolylsulfonyl)pentan-2-one
CID 12928097
2-(Benzenesulfonyl)-1-cyclohexylethanone
CID 13979946
4-(Benzenesulfonylmethyl)cyclohexan-1-one
CID 22633632
1-[(1S,2R)-2-(4-methylphenyl)sulfonylcyclopropyl]ethanone
CID 70970046
4-Ethyl-6-(3-fluorophenyl)sulfonylhexan-2-one
CID 59068746
4-Ethyl-6-(4-fluorophenyl)sulfonylhexan-2-one
CID 59068747
1-(3-Fluorophenyl)sulfonyl-6-methylheptan-2-one
CID 157303693

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-[2-(trimethylsilylmethyl)cyclopropyl]propan-1-one?
The IUPAC name of 2-(benzenesulfonyl)-1-[2-(trimethylsilylmethyl)cyclopropyl]propan-1-one (CID 13213448) is 2-(benzenesulfonyl)-1-[2-(trimethylsilylmethyl)cyclopropyl]propan-1-one.
What is the SMILES notation for 2-(benzenesulfonyl)-1-[2-(trimethylsilylmethyl)cyclopropyl]propan-1-one?
The canonical SMILES for 2-(benzenesulfonyl)-1-[2-(trimethylsilylmethyl)cyclopropyl]propan-1-one is CC(C(=O)C1CC1C[Si](C)(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-1-[2-(trimethylsilylmethyl)cyclopropyl]propan-1-one?
The InChIKey is YKFSPZOHYHIVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3SSi/c1-12(20(18,19)14-8-6-5-7-9-14)16(17)15-10-13(15)11-21(2,3)4/h5-9,12-13,15H,10-11H2,1-4H3.
What are the key properties of 2-(benzenesulfonyl)-1-[2-(trimethylsilylmethyl)cyclopropyl]propan-1-one?
2-(benzenesulfonyl)-1-[2-(trimethylsilylmethyl)cyclopropyl]propan-1-one has a molecular weight of 324.52 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-[2-(trimethylsilylmethyl)cyclopropyl]propan-1-one is sourced from PubChem (CID 13213448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).