2-methoxy-N-(2-methylsulfanylethyl)acetamide

C6H13NO2S — CID 19026860

IUPAC2-methoxy-N-(2-methylsulfanylethyl)acetamide
SMILESCOCC(=O)NCCSC
InChIInChI=1S/C6H13NO2S/c1-9-5-6(8)7-3-4-10-2/h3-5H2,1-2H3,(H,7,8)
InChIKeyVUWFKLQTJJDWHB-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.11
Rot. Bonds5

About 2-methoxy-N-(2-methylsulfanylethyl)acetamide

2-methoxy-N-(2-methylsulfanylethyl)acetamide (PubChem CID 19026860) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 2-methoxy-N-(2-methylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methylsulfanylethyl)acetamide
PubChem CID19026860
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name2-methoxy-N-(2-methylsulfanylethyl)acetamide
SMILESCOCC(=O)NCCSC
InChIInChI=1S/C6H13NO2S/c1-9-5-6(8)7-3-4-10-2/h3-5H2,1-2H3,(H,7,8)
InChIKeyVUWFKLQTJJDWHB-UHFFFAOYSA-N
XLogP0.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methylsulfanylethyl)acetamide?
The IUPAC name of 2-methoxy-N-(2-methylsulfanylethyl)acetamide (CID 19026860) is 2-methoxy-N-(2-methylsulfanylethyl)acetamide.
What is the SMILES notation for 2-methoxy-N-(2-methylsulfanylethyl)acetamide?
The canonical SMILES for 2-methoxy-N-(2-methylsulfanylethyl)acetamide is COCC(=O)NCCSC.
What is the InChIKey of 2-methoxy-N-(2-methylsulfanylethyl)acetamide?
The InChIKey is VUWFKLQTJJDWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-9-5-6(8)7-3-4-10-2/h3-5H2,1-2H3,(H,7,8).
What are the key properties of 2-methoxy-N-(2-methylsulfanylethyl)acetamide?
2-methoxy-N-(2-methylsulfanylethyl)acetamide has a molecular weight of 163.24 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methylsulfanylethyl)acetamide is sourced from PubChem (CID 19026860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).