2-(2-oxoethylsulfanyl)acetamide

C4H7NO2S — CID 54202396

IUPAC2-(2-oxoethylsulfanyl)acetamide
SMILESNC(=O)CSCC=O
InChIInChI=1S/C4H7NO2S/c5-4(7)3-8-2-1-6/h1H,2-3H2,(H2,5,7)
InChIKeyFURLZGRIDBBCBX-UHFFFAOYSA-N
MW133.17 g/mol
LogP-0.60
Rot. Bonds4

About 2-(2-oxoethylsulfanyl)acetamide

2-(2-oxoethylsulfanyl)acetamide (PubChem CID 54202396) has the molecular formula C4H7NO2S and a molecular weight of 133.17 g/mol. Its IUPAC name is 2-(2-oxoethylsulfanyl)acetamide.

Molecular Properties

Compound Name2-(2-oxoethylsulfanyl)acetamide
PubChem CID54202396
Molecular FormulaC4H7NO2S
Molecular Weight133.17 g/mol
Exact Mass133.02
IUPAC Name2-(2-oxoethylsulfanyl)acetamide
SMILESNC(=O)CSCC=O
InChIInChI=1S/C4H7NO2S/c5-4(7)3-8-2-1-6/h1H,2-3H2,(H2,5,7)
InChIKeyFURLZGRIDBBCBX-UHFFFAOYSA-N
XLogP-0.60
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoethylsulfanyl)acetamide?
The IUPAC name of 2-(2-oxoethylsulfanyl)acetamide (CID 54202396) is 2-(2-oxoethylsulfanyl)acetamide.
What is the SMILES notation for 2-(2-oxoethylsulfanyl)acetamide?
The canonical SMILES for 2-(2-oxoethylsulfanyl)acetamide is NC(=O)CSCC=O.
What is the InChIKey of 2-(2-oxoethylsulfanyl)acetamide?
The InChIKey is FURLZGRIDBBCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2S/c5-4(7)3-8-2-1-6/h1H,2-3H2,(H2,5,7).
What are the key properties of 2-(2-oxoethylsulfanyl)acetamide?
2-(2-oxoethylsulfanyl)acetamide has a molecular weight of 133.17 g/mol, XLogP of -0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoethylsulfanyl)acetamide is sourced from PubChem (CID 54202396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).