N-(2-methylsulfinylethyl)acetamide

C5H11NO2S — CID 784953

IUPACN-(2-methylsulfinylethyl)acetamide
SMILESCC(=O)NCCS(C)=O
InChIInChI=1S/C5H11NO2S/c1-5(7)6-3-4-9(2)8/h3-4H2,1-2H3,(H,6,7)
InChIKeyFUAGVWWHSHFIRL-UHFFFAOYSA-N
MW149.22 g/mol
LogP-0.50
Rot. Bonds3

About N-(2-methylsulfinylethyl)acetamide

N-(2-methylsulfinylethyl)acetamide (PubChem CID 784953) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is N-(2-methylsulfinylethyl)acetamide.

Molecular Properties

Compound NameN-(2-methylsulfinylethyl)acetamide
PubChem CID784953
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC NameN-(2-methylsulfinylethyl)acetamide
SMILESCC(=O)NCCS(C)=O
InChIInChI=1S/C5H11NO2S/c1-5(7)6-3-4-9(2)8/h3-4H2,1-2H3,(H,6,7)
InChIKeyFUAGVWWHSHFIRL-UHFFFAOYSA-N
XLogP-0.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinylethyl)acetamide?
The IUPAC name of N-(2-methylsulfinylethyl)acetamide (CID 784953) is N-(2-methylsulfinylethyl)acetamide.
What is the SMILES notation for N-(2-methylsulfinylethyl)acetamide?
The canonical SMILES for N-(2-methylsulfinylethyl)acetamide is CC(=O)NCCS(C)=O.
What is the InChIKey of N-(2-methylsulfinylethyl)acetamide?
The InChIKey is FUAGVWWHSHFIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-5(7)6-3-4-9(2)8/h3-4H2,1-2H3,(H,6,7).
What are the key properties of N-(2-methylsulfinylethyl)acetamide?
N-(2-methylsulfinylethyl)acetamide has a molecular weight of 149.22 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinylethyl)acetamide is sourced from PubChem (CID 784953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).