4-methoxy-N-[2-(methoxymethylsulfanyl)ethyl]butanamide

C9H19NO3S — CID 59983897

IUPAC4-methoxy-N-[2-(methoxymethylsulfanyl)ethyl]butanamide
SMILESCOCCCC(=O)NCCSCOC
InChIInChI=1S/C9H19NO3S/c1-12-6-3-4-9(11)10-5-7-14-8-13-2/h3-8H2,1-2H3,(H,10,11)
InChIKeyFEERMUNGSYZKGG-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.87
Rot. Bonds9

About 4-methoxy-N-[2-(methoxymethylsulfanyl)ethyl]butanamide

4-methoxy-N-[2-(methoxymethylsulfanyl)ethyl]butanamide (PubChem CID 59983897) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-methoxy-N-[2-(methoxymethylsulfanyl)ethyl]butanamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(methoxymethylsulfanyl)ethyl]butanamide
PubChem CID59983897
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name4-methoxy-N-[2-(methoxymethylsulfanyl)ethyl]butanamide
SMILESCOCCCC(=O)NCCSCOC
InChIInChI=1S/C9H19NO3S/c1-12-6-3-4-9(11)10-5-7-14-8-13-2/h3-8H2,1-2H3,(H,10,11)
InChIKeyFEERMUNGSYZKGG-UHFFFAOYSA-N
XLogP0.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(methoxymethylsulfanyl)ethyl]butanamide?
The IUPAC name of 4-methoxy-N-[2-(methoxymethylsulfanyl)ethyl]butanamide (CID 59983897) is 4-methoxy-N-[2-(methoxymethylsulfanyl)ethyl]butanamide.
What is the SMILES notation for 4-methoxy-N-[2-(methoxymethylsulfanyl)ethyl]butanamide?
The canonical SMILES for 4-methoxy-N-[2-(methoxymethylsulfanyl)ethyl]butanamide is COCCCC(=O)NCCSCOC.
What is the InChIKey of 4-methoxy-N-[2-(methoxymethylsulfanyl)ethyl]butanamide?
The InChIKey is FEERMUNGSYZKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-12-6-3-4-9(11)10-5-7-14-8-13-2/h3-8H2,1-2H3,(H,10,11).
What are the key properties of 4-methoxy-N-[2-(methoxymethylsulfanyl)ethyl]butanamide?
4-methoxy-N-[2-(methoxymethylsulfanyl)ethyl]butanamide has a molecular weight of 221.32 g/mol, XLogP of 0.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(methoxymethylsulfanyl)ethyl]butanamide is sourced from PubChem (CID 59983897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).