N-(1,1-dioxothiolan-3-yl)acetamide

C6H11NO3S — CID 237864

IUPACN-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C6H11NO3S/c1-5(8)7-6-2-3-11(9,10)4-6/h6H,2-4H2,1H3,(H,7,8)
InChIKeyZCJFCJXAGKPMHF-UHFFFAOYSA-N
MW177.22 g/mol
LogP-0.90
Rot. Bonds1

About N-(1,1-dioxothiolan-3-yl)acetamide

N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 237864) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID237864
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC NameN-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C6H11NO3S/c1-5(8)7-6-2-3-11(9,10)4-6/h6H,2-4H2,1H3,(H,7,8)
InChIKeyZCJFCJXAGKPMHF-UHFFFAOYSA-N
XLogP-0.90
TPSA71.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity251

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)acetamide (CID 237864) is N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)acetamide is CC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is ZCJFCJXAGKPMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S/c1-5(8)7-6-2-3-11(9,10)4-6/h6H,2-4H2,1H3,(H,7,8).
What are the key properties of N-(1,1-dioxothiolan-3-yl)acetamide?
N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 177.22 g/mol, XLogP of -0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 237864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).