N-(1-oxothiolan-3-yl)acetamide

C6H11NO2S — CID 126633837

IUPACN-(1-oxothiolan-3-yl)acetamide
SMILESCC(=O)NC1CCS(=O)C1
InChIInChI=1S/C6H11NO2S/c1-5(8)7-6-2-3-10(9)4-6/h6H,2-4H2,1H3,(H,7,8)
InChIKeyLPSYCZDTNBRWDL-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.36
Rot. Bonds1

About N-(1-oxothiolan-3-yl)acetamide

N-(1-oxothiolan-3-yl)acetamide (PubChem CID 126633837) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is N-(1-oxothiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-oxothiolan-3-yl)acetamide
PubChem CID126633837
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC NameN-(1-oxothiolan-3-yl)acetamide
SMILESCC(=O)NC1CCS(=O)C1
InChIInChI=1S/C6H11NO2S/c1-5(8)7-6-2-3-10(9)4-6/h6H,2-4H2,1H3,(H,7,8)
InChIKeyLPSYCZDTNBRWDL-UHFFFAOYSA-N
XLogP-0.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-oxothiolan-3-yl)acetamide?
The IUPAC name of N-(1-oxothiolan-3-yl)acetamide (CID 126633837) is N-(1-oxothiolan-3-yl)acetamide.
What is the SMILES notation for N-(1-oxothiolan-3-yl)acetamide?
The canonical SMILES for N-(1-oxothiolan-3-yl)acetamide is CC(=O)NC1CCS(=O)C1.
What is the InChIKey of N-(1-oxothiolan-3-yl)acetamide?
The InChIKey is LPSYCZDTNBRWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-5(8)7-6-2-3-10(9)4-6/h6H,2-4H2,1H3,(H,7,8).
What are the key properties of N-(1-oxothiolan-3-yl)acetamide?
N-(1-oxothiolan-3-yl)acetamide has a molecular weight of 161.23 g/mol, XLogP of -0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxothiolan-3-yl)acetamide is sourced from PubChem (CID 126633837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).