2-aminooxy-N-sulfanylacetamide

C2H6N2O2S — CID 129060609

IUPAC2-aminooxy-N-sulfanylacetamide
SMILESNOCC(=O)NS
InChIInChI=1S/C2H6N2O2S/c3-6-1-2(5)4-7/h7H,1,3H2,(H,4,5)
InChIKeyWECOWZJHMLYJSW-UHFFFAOYSA-N
MW122.15 g/mol
LogP-1.16
Rot. Bonds2

About 2-aminooxy-N-sulfanylacetamide

2-aminooxy-N-sulfanylacetamide (PubChem CID 129060609) has the molecular formula C2H6N2O2S and a molecular weight of 122.15 g/mol. Its IUPAC name is 2-aminooxy-N-sulfanylacetamide.

Molecular Properties

Compound Name2-aminooxy-N-sulfanylacetamide
PubChem CID129060609
Molecular FormulaC2H6N2O2S
Molecular Weight122.15 g/mol
Exact Mass122.01
IUPAC Name2-aminooxy-N-sulfanylacetamide
SMILESNOCC(=O)NS
InChIInChI=1S/C2H6N2O2S/c3-6-1-2(5)4-7/h7H,1,3H2,(H,4,5)
InChIKeyWECOWZJHMLYJSW-UHFFFAOYSA-N
XLogP-1.16
TPSA64.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.15
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-aminooxy-N-cyclopropylacetamide;hydrochloride
CID 132888042
2-hydroxy-N-sulfanylacetamide
CID 166739002
2-bromo-N-sulfanylacetamide
CID 58969789
1-aminooxypropan-2-one
CID 20700160
5-aminopentyl 2-[2-oxo-2-(sulfanylamino)ethoxy]acetate
CID 59730687
2-decoxy-N-sulfanylacetamide
CID 150404301
hydrazinyl 2-aminooxyacetate
CID 87714575
N-[2-(2-aminoethyldisulfanyl)ethyl]-2-aminooxyacetamide
CID 87922080
potassium 2-aminooxyacetate
CID 167313621
2-aminooxy-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide
CID 123264301
2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
CID 53250845
1-aminooxypropan-2-one;1-aminopropan-2-one
CID 158191453

Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-N-sulfanylacetamide?
The IUPAC name of 2-aminooxy-N-sulfanylacetamide (CID 129060609) is 2-aminooxy-N-sulfanylacetamide.
What is the SMILES notation for 2-aminooxy-N-sulfanylacetamide?
The canonical SMILES for 2-aminooxy-N-sulfanylacetamide is NOCC(=O)NS.
What is the InChIKey of 2-aminooxy-N-sulfanylacetamide?
The InChIKey is WECOWZJHMLYJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O2S/c3-6-1-2(5)4-7/h7H,1,3H2,(H,4,5).
What are the key properties of 2-aminooxy-N-sulfanylacetamide?
2-aminooxy-N-sulfanylacetamide has a molecular weight of 122.15 g/mol, XLogP of -1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-N-sulfanylacetamide is sourced from PubChem (CID 129060609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).