2-methoxy-N-[4-oxo-6-(propyldisulfanyl)hexyl]acetamide

C12H23NO3S2 — CID 58331079

IUPAC2-methoxy-N-[4-oxo-6-(propyldisulfanyl)hexyl]acetamide
SMILESCCCSSCCC(=O)CCCNC(=O)COC
InChIInChI=1S/C12H23NO3S2/c1-3-8-17-18-9-6-11(14)5-4-7-13-12(15)10-16-2/h3-10H2,1-2H3,(H,13,15)
InChIKeyTYGNHZVERKSJSI-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.28
Rot. Bonds12

About 2-methoxy-N-[4-oxo-6-(propyldisulfanyl)hexyl]acetamide

2-methoxy-N-[4-oxo-6-(propyldisulfanyl)hexyl]acetamide (PubChem CID 58331079) has the molecular formula C12H23NO3S2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-methoxy-N-[4-oxo-6-(propyldisulfanyl)hexyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[4-oxo-6-(propyldisulfanyl)hexyl]acetamide
PubChem CID58331079
Molecular FormulaC12H23NO3S2
Molecular Weight293.45 g/mol
Exact Mass293.11
IUPAC Name2-methoxy-N-[4-oxo-6-(propyldisulfanyl)hexyl]acetamide
SMILESCCCSSCCC(=O)CCCNC(=O)COC
InChIInChI=1S/C12H23NO3S2/c1-3-8-17-18-9-6-11(14)5-4-7-13-12(15)10-16-2/h3-10H2,1-2H3,(H,13,15)
InChIKeyTYGNHZVERKSJSI-UHFFFAOYSA-N
XLogP2.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-oxo-6-(propyldisulfanyl)hexyl]acetamide?
The IUPAC name of 2-methoxy-N-[4-oxo-6-(propyldisulfanyl)hexyl]acetamide (CID 58331079) is 2-methoxy-N-[4-oxo-6-(propyldisulfanyl)hexyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[4-oxo-6-(propyldisulfanyl)hexyl]acetamide?
The canonical SMILES for 2-methoxy-N-[4-oxo-6-(propyldisulfanyl)hexyl]acetamide is CCCSSCCC(=O)CCCNC(=O)COC.
What is the InChIKey of 2-methoxy-N-[4-oxo-6-(propyldisulfanyl)hexyl]acetamide?
The InChIKey is TYGNHZVERKSJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S2/c1-3-8-17-18-9-6-11(14)5-4-7-13-12(15)10-16-2/h3-10H2,1-2H3,(H,13,15).
What are the key properties of 2-methoxy-N-[4-oxo-6-(propyldisulfanyl)hexyl]acetamide?
2-methoxy-N-[4-oxo-6-(propyldisulfanyl)hexyl]acetamide has a molecular weight of 293.45 g/mol, XLogP of 2.28, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-oxo-6-(propyldisulfanyl)hexyl]acetamide is sourced from PubChem (CID 58331079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).