2-ethoxy-N-(2-oxothiolan-3-yl)acetamide

C8H13NO3S — CID 655601

IUPAC2-ethoxy-N-(2-oxothiolan-3-yl)acetamide
SMILESCCOCC(=O)NC1CCSC1=O
InChIInChI=1S/C8H13NO3S/c1-2-12-5-7(10)9-6-3-4-13-8(6)11/h6H,2-5H2,1H3,(H,9,10)
InChIKeyBIBPJQAFGORFNT-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.17
Rot. Bonds4

About 2-ethoxy-N-(2-oxothiolan-3-yl)acetamide

2-ethoxy-N-(2-oxothiolan-3-yl)acetamide (PubChem CID 655601) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-ethoxy-N-(2-oxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-ethoxy-N-(2-oxothiolan-3-yl)acetamide
PubChem CID655601
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name2-ethoxy-N-(2-oxothiolan-3-yl)acetamide
SMILESCCOCC(=O)NC1CCSC1=O
InChIInChI=1S/C8H13NO3S/c1-2-12-5-7(10)9-6-3-4-13-8(6)11/h6H,2-5H2,1H3,(H,9,10)
InChIKeyBIBPJQAFGORFNT-UHFFFAOYSA-N
XLogP0.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-oxothiolan-3-yl)acetamide?
The IUPAC name of 2-ethoxy-N-(2-oxothiolan-3-yl)acetamide (CID 655601) is 2-ethoxy-N-(2-oxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-ethoxy-N-(2-oxothiolan-3-yl)acetamide?
The canonical SMILES for 2-ethoxy-N-(2-oxothiolan-3-yl)acetamide is CCOCC(=O)NC1CCSC1=O.
What is the InChIKey of 2-ethoxy-N-(2-oxothiolan-3-yl)acetamide?
The InChIKey is BIBPJQAFGORFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-2-12-5-7(10)9-6-3-4-13-8(6)11/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-ethoxy-N-(2-oxothiolan-3-yl)acetamide?
2-ethoxy-N-(2-oxothiolan-3-yl)acetamide has a molecular weight of 203.26 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-oxothiolan-3-yl)acetamide is sourced from PubChem (CID 655601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).