3-ethylsulfanyl-N-methoxy-N-methylpropanamide

C7H15NO2S — CID 130369793

IUPAC3-ethylsulfanyl-N-methoxy-N-methylpropanamide
SMILESCCSCCC(=O)N(C)OC
InChIInChI=1S/C7H15NO2S/c1-4-11-6-5-7(9)8(2)10-3/h4-6H2,1-3H3
InChIKeyVAURIEXHBOBRKI-UHFFFAOYSA-N
MW177.27 g/mol
LogP1.15
Rot. Bonds5

About 3-ethylsulfanyl-N-methoxy-N-methylpropanamide

3-ethylsulfanyl-N-methoxy-N-methylpropanamide (PubChem CID 130369793) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name3-ethylsulfanyl-N-methoxy-N-methylpropanamide
PubChem CID130369793
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name3-ethylsulfanyl-N-methoxy-N-methylpropanamide
SMILESCCSCCC(=O)N(C)OC
InChIInChI=1S/C7H15NO2S/c1-4-11-6-5-7(9)8(2)10-3/h4-6H2,1-3H3
InChIKeyVAURIEXHBOBRKI-UHFFFAOYSA-N
XLogP1.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-methoxy-N-methylpropanamide?
The IUPAC name of 3-ethylsulfanyl-N-methoxy-N-methylpropanamide (CID 130369793) is 3-ethylsulfanyl-N-methoxy-N-methylpropanamide.
What is the SMILES notation for 3-ethylsulfanyl-N-methoxy-N-methylpropanamide?
The canonical SMILES for 3-ethylsulfanyl-N-methoxy-N-methylpropanamide is CCSCCC(=O)N(C)OC.
What is the InChIKey of 3-ethylsulfanyl-N-methoxy-N-methylpropanamide?
The InChIKey is VAURIEXHBOBRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-4-11-6-5-7(9)8(2)10-3/h4-6H2,1-3H3.
What are the key properties of 3-ethylsulfanyl-N-methoxy-N-methylpropanamide?
3-ethylsulfanyl-N-methoxy-N-methylpropanamide has a molecular weight of 177.27 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 130369793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).