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

C6H9NO2S — CID 2773

IUPACN-(3-oxothiolan-2-yl)acetamide
SMILESCC(=O)NC1SCCC1=O
InChIInChI=1S/C6H9NO2S/c1-4(8)7-6-5(9)2-3-10-6/h6H,2-3H2,1H3,(H,7,8)
InChIKeyXZPSMGBHBUQFHR-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.15
Rot. Bonds1

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

N-(3-oxothiolan-2-yl)acetamide (PubChem CID 2773) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is N-(3-oxothiolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-oxothiolan-2-yl)acetamide
PubChem CID2773
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC NameN-(3-oxothiolan-2-yl)acetamide
SMILESCC(=O)NC1SCCC1=O
InChIInChI=1S/C6H9NO2S/c1-4(8)7-6-5(9)2-3-10-6/h6H,2-3H2,1H3,(H,7,8)
InChIKeyXZPSMGBHBUQFHR-UHFFFAOYSA-N
XLogP0.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxothiolan-2-yl)acetamide?
The IUPAC name of N-(3-oxothiolan-2-yl)acetamide (CID 2773) is N-(3-oxothiolan-2-yl)acetamide.
What is the SMILES notation for N-(3-oxothiolan-2-yl)acetamide?
The canonical SMILES for N-(3-oxothiolan-2-yl)acetamide is CC(=O)NC1SCCC1=O.
What is the InChIKey of N-(3-oxothiolan-2-yl)acetamide?
The InChIKey is XZPSMGBHBUQFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-4(8)7-6-5(9)2-3-10-6/h6H,2-3H2,1H3,(H,7,8).
What are the key properties of N-(3-oxothiolan-2-yl)acetamide?
N-(3-oxothiolan-2-yl)acetamide has a molecular weight of 159.21 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxothiolan-2-yl)acetamide is sourced from PubChem (CID 2773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).