N-(1,3-oxathiolan-5-yl)acetamide

C5H9NO2S — CID 23534431

IUPACN-(1,3-oxathiolan-5-yl)acetamide
SMILESCC(=O)NC1CSCO1
InChIInChI=1S/C5H9NO2S/c1-4(7)6-5-2-9-3-8-5/h5H,2-3H2,1H3,(H,6,7)
InChIKeyFQFZXTLJACAANN-UHFFFAOYSA-N
MW147.20 g/mol
LogP0.17
Rot. Bonds1

About N-(1,3-oxathiolan-5-yl)acetamide

N-(1,3-oxathiolan-5-yl)acetamide (PubChem CID 23534431) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is N-(1,3-oxathiolan-5-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-oxathiolan-5-yl)acetamide
PubChem CID23534431
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC NameN-(1,3-oxathiolan-5-yl)acetamide
SMILESCC(=O)NC1CSCO1
InChIInChI=1S/C5H9NO2S/c1-4(7)6-5-2-9-3-8-5/h5H,2-3H2,1H3,(H,6,7)
InChIKeyFQFZXTLJACAANN-UHFFFAOYSA-N
XLogP0.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-oxathiolan-5-yl)acetamide?
The IUPAC name of N-(1,3-oxathiolan-5-yl)acetamide (CID 23534431) is N-(1,3-oxathiolan-5-yl)acetamide.
What is the SMILES notation for N-(1,3-oxathiolan-5-yl)acetamide?
The canonical SMILES for N-(1,3-oxathiolan-5-yl)acetamide is CC(=O)NC1CSCO1.
What is the InChIKey of N-(1,3-oxathiolan-5-yl)acetamide?
The InChIKey is FQFZXTLJACAANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-4(7)6-5-2-9-3-8-5/h5H,2-3H2,1H3,(H,6,7).
What are the key properties of N-(1,3-oxathiolan-5-yl)acetamide?
N-(1,3-oxathiolan-5-yl)acetamide has a molecular weight of 147.20 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-oxathiolan-5-yl)acetamide is sourced from PubChem (CID 23534431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).