2-hydroxy-N-sulfanylacetamide

C2H5NO2S — CID 166739002

IUPAC2-hydroxy-N-sulfanylacetamide
SMILESO=C(CO)NS
InChIInChI=1S/C2H5NO2S/c4-1-2(5)3-6/h4,6H,1H2,(H,3,5)
InChIKeyNKKQOWRQGNWFMZ-UHFFFAOYSA-N
MW107.13 g/mol
LogP-1.06
Rot. Bonds1

About 2-hydroxy-N-sulfanylacetamide

2-hydroxy-N-sulfanylacetamide (PubChem CID 166739002) has the molecular formula C2H5NO2S and a molecular weight of 107.13 g/mol. Its IUPAC name is 2-hydroxy-N-sulfanylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-sulfanylacetamide
PubChem CID166739002
Molecular FormulaC2H5NO2S
Molecular Weight107.13 g/mol
Exact Mass107.00
IUPAC Name2-hydroxy-N-sulfanylacetamide
SMILESO=C(CO)NS
InChIInChI=1S/C2H5NO2S/c4-1-2(5)3-6/h4,6H,1H2,(H,3,5)
InChIKeyNKKQOWRQGNWFMZ-UHFFFAOYSA-N
XLogP-1.06
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.13
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-sulfanylacetamide
CID 58969789
N-(dihydroxymethylcarbamoyl)-2-hydroxyacetamide
CID 141010721
N-(2-hydroxyacetyl)carbamoyl iodide
CID 88991853
2-hydroxy-N-methyliodanuidylacetamide
CID 149495843
N-sulfanylbutanamide
CID 18680505
N-(tert-butylcarbamoyl)-2-hydroxyacetamide
CID 43558926
2-(dimethylamino)-N-sulfanylacetamide
CID 122523044
2-aminooxy-N-sulfanylacetamide
CID 129060609
N,N'-bis(sulfanyl)oxamide;ethanol
CID 175121420
3,5-dioxo-N-sulfanylhexanamide
CID 22212934
[(2-hydroxyacetyl)amino] dihydrogen phosphite
CID 87880972
2-hydroxy-N-[3-[(2-hydroxyacetyl)amino]propyl]acetamide
CID 142043672

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-sulfanylacetamide?
The IUPAC name of 2-hydroxy-N-sulfanylacetamide (CID 166739002) is 2-hydroxy-N-sulfanylacetamide.
What is the SMILES notation for 2-hydroxy-N-sulfanylacetamide?
The canonical SMILES for 2-hydroxy-N-sulfanylacetamide is O=C(CO)NS.
What is the InChIKey of 2-hydroxy-N-sulfanylacetamide?
The InChIKey is NKKQOWRQGNWFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO2S/c4-1-2(5)3-6/h4,6H,1H2,(H,3,5).
What are the key properties of 2-hydroxy-N-sulfanylacetamide?
2-hydroxy-N-sulfanylacetamide has a molecular weight of 107.13 g/mol, XLogP of -1.06, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-sulfanylacetamide is sourced from PubChem (CID 166739002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).