2-[(3-methylidenealumanylphenyl)methylsulfinyl]acetamide

C10H12AlNO2S — CID 147101332

IUPAC2-[(3-methylidenealumanylphenyl)methylsulfinyl]acetamide
SMILESC=[Al]c1cccc(CS(=O)CC(N)=O)c1
InChIInChI=1S/C9H10NO2S.CH2.Al/c10-9(11)7-13(12)6-8-4-2-1-3-5-8;;/h1-2,4-5H,6-7H2,(H2,10,11);1H2;
InChIKeyBKSDNBLVOWFEOI-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.82
Rot. Bonds5

About 2-[(3-methylidenealumanylphenyl)methylsulfinyl]acetamide

2-[(3-methylidenealumanylphenyl)methylsulfinyl]acetamide (PubChem CID 147101332) has the molecular formula C10H12AlNO2S and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[(3-methylidenealumanylphenyl)methylsulfinyl]acetamide.

Molecular Properties

Compound Name2-[(3-methylidenealumanylphenyl)methylsulfinyl]acetamide
PubChem CID147101332
Molecular FormulaC10H12AlNO2S
Molecular Weight237.26 g/mol
Exact Mass237.04
IUPAC Name2-[(3-methylidenealumanylphenyl)methylsulfinyl]acetamide
SMILESC=[Al]c1cccc(CS(=O)CC(N)=O)c1
InChIInChI=1S/C9H10NO2S.CH2.Al/c10-9(11)7-13(12)6-8-4-2-1-3-5-8;;/h1-2,4-5H,6-7H2,(H2,10,11);1H2;
InChIKeyBKSDNBLVOWFEOI-UHFFFAOYSA-N
XLogP-0.82
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzylsulfinylacetamide;ethane
CID 91390108
2-[(R)-[3-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide
CID 129364825
2-[(R)-(3-thiophen-2-ylphenyl)methylsulfinyl]acetamide
CID 129411314
2-[[3-(2-fluorophenyl)phenyl]methylsulfinyl]acetamide
CID 86077591
2-[[3-(4-ethoxyphenyl)phenyl]methylsulfinyl]acetamide
CID 11536986
2-[(R)-(4-phenylphenyl)methylsulfinyl]acetamide
CID 129364182
2-[(R)-dibenzofuran-2-ylmethylsulfinyl]acetamide
CID 129383109
2-[(S)-(4-thiophen-2-ylphenyl)methylsulfinyl]acetamide
CID 129411324
[3-(2-amino-2-oxoethyl)phenyl]methanesulfinic acid
CID 174767314
2-[(3-methylphenyl)methylsulfinyl]-1-(oxolan-3-yl)ethanone
CID 104756207
1-[(3-methylphenyl)methylsulfinyl]butan-2-one
CID 64637584
[3-(butylsulfinylmethyl)phenyl]methanamine
CID 81328267

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylidenealumanylphenyl)methylsulfinyl]acetamide?
The IUPAC name of 2-[(3-methylidenealumanylphenyl)methylsulfinyl]acetamide (CID 147101332) is 2-[(3-methylidenealumanylphenyl)methylsulfinyl]acetamide.
What is the SMILES notation for 2-[(3-methylidenealumanylphenyl)methylsulfinyl]acetamide?
The canonical SMILES for 2-[(3-methylidenealumanylphenyl)methylsulfinyl]acetamide is C=[Al]c1cccc(CS(=O)CC(N)=O)c1.
What is the InChIKey of 2-[(3-methylidenealumanylphenyl)methylsulfinyl]acetamide?
The InChIKey is BKSDNBLVOWFEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NO2S.CH2.Al/c10-9(11)7-13(12)6-8-4-2-1-3-5-8;;/h1-2,4-5H,6-7H2,(H2,10,11);1H2;.
What are the key properties of 2-[(3-methylidenealumanylphenyl)methylsulfinyl]acetamide?
2-[(3-methylidenealumanylphenyl)methylsulfinyl]acetamide has a molecular weight of 237.26 g/mol, XLogP of -0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylidenealumanylphenyl)methylsulfinyl]acetamide is sourced from PubChem (CID 147101332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).