3-ethoxy-N-(2-methylsulfanylethyl)propanamide

C8H17NO2S — CID 58089205

IUPAC3-ethoxy-N-(2-methylsulfanylethyl)propanamide
SMILESCCOCCC(=O)NCCSC
InChIInChI=1S/C8H17NO2S/c1-3-11-6-4-8(10)9-5-7-12-2/h3-7H2,1-2H3,(H,9,10)
InChIKeyYRZLQCAFMOMLBQ-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.89
Rot. Bonds7

About 3-ethoxy-N-(2-methylsulfanylethyl)propanamide

3-ethoxy-N-(2-methylsulfanylethyl)propanamide (PubChem CID 58089205) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 3-ethoxy-N-(2-methylsulfanylethyl)propanamide.

Molecular Properties

Compound Name3-ethoxy-N-(2-methylsulfanylethyl)propanamide
PubChem CID58089205
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name3-ethoxy-N-(2-methylsulfanylethyl)propanamide
SMILESCCOCCC(=O)NCCSC
InChIInChI=1S/C8H17NO2S/c1-3-11-6-4-8(10)9-5-7-12-2/h3-7H2,1-2H3,(H,9,10)
InChIKeyYRZLQCAFMOMLBQ-UHFFFAOYSA-N
XLogP0.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.89
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 3-ethoxy-N-(2-methylsulfanylethyl)propanamide?
The IUPAC name of 3-ethoxy-N-(2-methylsulfanylethyl)propanamide (CID 58089205) is 3-ethoxy-N-(2-methylsulfanylethyl)propanamide.
What is the SMILES notation for 3-ethoxy-N-(2-methylsulfanylethyl)propanamide?
The canonical SMILES for 3-ethoxy-N-(2-methylsulfanylethyl)propanamide is CCOCCC(=O)NCCSC.
What is the InChIKey of 3-ethoxy-N-(2-methylsulfanylethyl)propanamide?
The InChIKey is YRZLQCAFMOMLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-3-11-6-4-8(10)9-5-7-12-2/h3-7H2,1-2H3,(H,9,10).
What are the key properties of 3-ethoxy-N-(2-methylsulfanylethyl)propanamide?
3-ethoxy-N-(2-methylsulfanylethyl)propanamide has a molecular weight of 191.30 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-methylsulfanylethyl)propanamide is sourced from PubChem (CID 58089205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).