2-benzylsulfinylacetamide;ethane

C11H17NO2S — CID 91390108

IUPAC2-benzylsulfinylacetamide;ethane
SMILESCC.NC(=O)CS(=O)Cc1ccccc1
InChIInChI=1S/C9H11NO2S.C2H6/c10-9(11)7-13(12)6-8-4-2-1-3-5-8;1-2/h1-5H,6-7H2,(H2,10,11);1-2H3
InChIKeyNZKMKJMSQOHDTN-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.45
Rot. Bonds4

About 2-benzylsulfinylacetamide;ethane

2-benzylsulfinylacetamide;ethane (PubChem CID 91390108) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-benzylsulfinylacetamide;ethane.

Molecular Properties

Compound Name2-benzylsulfinylacetamide;ethane
PubChem CID91390108
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-benzylsulfinylacetamide;ethane
SMILESCC.NC(=O)CS(=O)Cc1ccccc1
InChIInChI=1S/C9H11NO2S.C2H6/c10-9(11)7-13(12)6-8-4-2-1-3-5-8;1-2/h1-5H,6-7H2,(H2,10,11);1-2H3
InChIKeyNZKMKJMSQOHDTN-UHFFFAOYSA-N
XLogP1.45
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(R)-(4-phenylphenyl)methylsulfinyl]acetamide
CID 129364182
2-[(2-bromophenyl)methylsulfinyl]acetamide;ethane
CID 91127842
2-[(R)-[4-(4-bromophenyl)phenyl]methylsulfinyl]acetamide
CID 129411278
2-[(3-methylidenealumanylphenyl)methylsulfinyl]acetamide
CID 147101332
2-[(S)-(4-thiophen-2-ylphenyl)methylsulfinyl]acetamide
CID 129411324
2-[[3-(2-fluorophenyl)phenyl]methylsulfinyl]acetamide
CID 86077591
2-[(R)-[3-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide
CID 129364825
2-benzylsulfinyl-1-(4-propan-2-ylphenyl)ethanone
CID 64639260
2-[(R)-dibenzofuran-2-ylmethylsulfinyl]acetamide
CID 129383109
2-[(R)-(3-thiophen-2-ylphenyl)methylsulfinyl]acetamide
CID 129411314
2-benzylsulfinyl-1-(5-methylthiophen-2-yl)ethanone
CID 64639257
2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide
CID 95169335

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfinylacetamide;ethane?
The IUPAC name of 2-benzylsulfinylacetamide;ethane (CID 91390108) is 2-benzylsulfinylacetamide;ethane.
What is the SMILES notation for 2-benzylsulfinylacetamide;ethane?
The canonical SMILES for 2-benzylsulfinylacetamide;ethane is CC.NC(=O)CS(=O)Cc1ccccc1.
What is the InChIKey of 2-benzylsulfinylacetamide;ethane?
The InChIKey is NZKMKJMSQOHDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S.C2H6/c10-9(11)7-13(12)6-8-4-2-1-3-5-8;1-2/h1-5H,6-7H2,(H2,10,11);1-2H3.
What are the key properties of 2-benzylsulfinylacetamide;ethane?
2-benzylsulfinylacetamide;ethane has a molecular weight of 227.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfinylacetamide;ethane is sourced from PubChem (CID 91390108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).