N-hydroxysulfanylacetamide

C2H5NO2S — CID 88522528

IUPACN-hydroxysulfanylacetamide
SMILESCC(=O)NSO
InChIInChI=1S/C2H5NO2S/c1-2(4)3-6-5/h5H,1H3,(H,3,4)
InChIKeyFVXWJWZRBDQHEQ-UHFFFAOYSA-N
MW107.13 g/mol
LogP0.24
Rot. Bonds1

About N-hydroxysulfanylacetamide

N-hydroxysulfanylacetamide (PubChem CID 88522528) has the molecular formula C2H5NO2S and a molecular weight of 107.13 g/mol. Its IUPAC name is N-hydroxysulfanylacetamide.

Molecular Properties

Compound NameN-hydroxysulfanylacetamide
PubChem CID88522528
Molecular FormulaC2H5NO2S
Molecular Weight107.13 g/mol
Exact Mass107.00
IUPAC NameN-hydroxysulfanylacetamide
SMILESCC(=O)NSO
InChIInChI=1S/C2H5NO2S/c1-2(4)3-6-5/h5H,1H3,(H,3,4)
InChIKeyFVXWJWZRBDQHEQ-UHFFFAOYSA-N
XLogP0.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.13
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxysulfanylacetamide?
The IUPAC name of N-hydroxysulfanylacetamide (CID 88522528) is N-hydroxysulfanylacetamide.
What is the SMILES notation for N-hydroxysulfanylacetamide?
The canonical SMILES for N-hydroxysulfanylacetamide is CC(=O)NSO.
What is the InChIKey of N-hydroxysulfanylacetamide?
The InChIKey is FVXWJWZRBDQHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO2S/c1-2(4)3-6-5/h5H,1H3,(H,3,4).
What are the key properties of N-hydroxysulfanylacetamide?
N-hydroxysulfanylacetamide has a molecular weight of 107.13 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxysulfanylacetamide is sourced from PubChem (CID 88522528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).