2-aminooxy-N-[2-(3-methylsulfanylpropoxy)ethyl]acetamide

C8H18N2O3S — CID 153489313

IUPAC2-aminooxy-N-[2-(3-methylsulfanylpropoxy)ethyl]acetamide
SMILESCSCCCOCCNC(=O)CON
InChIInChI=1S/C8H18N2O3S/c1-14-6-2-4-12-5-3-10-8(11)7-13-9/h2-7,9H2,1H3,(H,10,11)
InChIKeyWFAJXMUEHFBBSF-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.24
Rot. Bonds9

About 2-aminooxy-N-[2-(3-methylsulfanylpropoxy)ethyl]acetamide

2-aminooxy-N-[2-(3-methylsulfanylpropoxy)ethyl]acetamide (PubChem CID 153489313) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-aminooxy-N-[2-(3-methylsulfanylpropoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-aminooxy-N-[2-(3-methylsulfanylpropoxy)ethyl]acetamide
PubChem CID153489313
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name2-aminooxy-N-[2-(3-methylsulfanylpropoxy)ethyl]acetamide
SMILESCSCCCOCCNC(=O)CON
InChIInChI=1S/C8H18N2O3S/c1-14-6-2-4-12-5-3-10-8(11)7-13-9/h2-7,9H2,1H3,(H,10,11)
InChIKeyWFAJXMUEHFBBSF-UHFFFAOYSA-N
XLogP-0.24
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-aminooxy-N-[2-(3-methylsulfanylpropoxy)ethyl]acetamide?
The IUPAC name of 2-aminooxy-N-[2-(3-methylsulfanylpropoxy)ethyl]acetamide (CID 153489313) is 2-aminooxy-N-[2-(3-methylsulfanylpropoxy)ethyl]acetamide.
What is the SMILES notation for 2-aminooxy-N-[2-(3-methylsulfanylpropoxy)ethyl]acetamide?
The canonical SMILES for 2-aminooxy-N-[2-(3-methylsulfanylpropoxy)ethyl]acetamide is CSCCCOCCNC(=O)CON.
What is the InChIKey of 2-aminooxy-N-[2-(3-methylsulfanylpropoxy)ethyl]acetamide?
The InChIKey is WFAJXMUEHFBBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-14-6-2-4-12-5-3-10-8(11)7-13-9/h2-7,9H2,1H3,(H,10,11).
What are the key properties of 2-aminooxy-N-[2-(3-methylsulfanylpropoxy)ethyl]acetamide?
2-aminooxy-N-[2-(3-methylsulfanylpropoxy)ethyl]acetamide has a molecular weight of 222.31 g/mol, XLogP of -0.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-N-[2-(3-methylsulfanylpropoxy)ethyl]acetamide is sourced from PubChem (CID 153489313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).