2-sulfanyloxyacetamide

C2H5NO2S — CID 88958482

IUPAC2-sulfanyloxyacetamide
SMILESNC(=O)COS
InChIInChI=1S/C2H5NO2S/c3-2(4)1-5-6/h6H,1H2,(H2,3,4)
InChIKeyCJLWKSRIJVJFGQ-UHFFFAOYSA-N
MW107.13 g/mol
LogP-0.67
Rot. Bonds2

About 2-sulfanyloxyacetamide

2-sulfanyloxyacetamide (PubChem CID 88958482) has the molecular formula C2H5NO2S and a molecular weight of 107.13 g/mol. Its IUPAC name is 2-sulfanyloxyacetamide.

Molecular Properties

Compound Name2-sulfanyloxyacetamide
PubChem CID88958482
Molecular FormulaC2H5NO2S
Molecular Weight107.13 g/mol
Exact Mass107.00
IUPAC Name2-sulfanyloxyacetamide
SMILESNC(=O)COS
InChIInChI=1S/C2H5NO2S/c3-2(4)1-5-6/h6H,1H2,(H2,3,4)
InChIKeyCJLWKSRIJVJFGQ-UHFFFAOYSA-N
XLogP-0.67
TPSA52.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.13
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanyloxyacetamide?
The IUPAC name of 2-sulfanyloxyacetamide (CID 88958482) is 2-sulfanyloxyacetamide.
What is the SMILES notation for 2-sulfanyloxyacetamide?
The canonical SMILES for 2-sulfanyloxyacetamide is NC(=O)COS.
What is the InChIKey of 2-sulfanyloxyacetamide?
The InChIKey is CJLWKSRIJVJFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO2S/c3-2(4)1-5-6/h6H,1H2,(H2,3,4).
What are the key properties of 2-sulfanyloxyacetamide?
2-sulfanyloxyacetamide has a molecular weight of 107.13 g/mol, XLogP of -0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyloxyacetamide is sourced from PubChem (CID 88958482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).