N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

C6H11NO3S — CID 7114857

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCS(=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)/t6-/m1/s1
InChIKeyZCJFCJXAGKPMHF-ZCFIWIBFSA-N
MW177.22 g/mol
LogP-0.69
Rot. Bonds1

About N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 7114857) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID7114857
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCS(=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)/t6-/m1/s1
InChIKeyZCJFCJXAGKPMHF-ZCFIWIBFSA-N
XLogP-0.69
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3R)-1,1-dioxothiolan-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (CID 7114857) is N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is CC(=O)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is ZCJFCJXAGKPMHF-ZCFIWIBFSA-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)/t6-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 177.22 g/mol, XLogP of -0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 7114857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).