2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide

C10H14N2O5S2 — CID 4974390

IUPAC2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
SMILESCN(C(=O)CC1SC(=O)NC1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H14N2O5S2/c1-12(6-2-3-19(16,17)5-6)8(13)4-7-9(14)11-10(15)18-7/h6-7H,2-5H2,1H3,(H,11,14,15)
InChIKeyGCHBAXWCLMCIJS-UHFFFAOYSA-N
MW306.37 g/mol
LogP-0.63
Rot. Bonds3

About 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide

2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide (PubChem CID 4974390) has the molecular formula C10H14N2O5S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
PubChem CID4974390
Molecular FormulaC10H14N2O5S2
Molecular Weight306.37 g/mol
Exact Mass306.03
IUPAC Name2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
SMILESCN(C(=O)CC1SC(=O)NC1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H14N2O5S2/c1-12(6-2-3-19(16,17)5-6)8(13)4-7-9(14)11-10(15)18-7/h6-7H,2-5H2,1H3,(H,11,14,15)
InChIKeyGCHBAXWCLMCIJS-UHFFFAOYSA-N
XLogP-0.63
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 26646962
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CID 42927124
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
3-(3,5-dioxopyrazolidin-4-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 110703679
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 80519802
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-piperidin-2-ylacetamide
CID 43648898
N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
CID 110755793
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide
CID 3450541
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 32711050
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110852974
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 51238233

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide (CID 4974390) is 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide is CN(C(=O)CC1SC(=O)NC1=O)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The InChIKey is GCHBAXWCLMCIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S2/c1-12(6-2-3-19(16,17)5-6)8(13)4-7-9(14)11-10(15)18-7/h6-7H,2-5H2,1H3,(H,11,14,15).
What are the key properties of 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide has a molecular weight of 306.37 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide is sourced from PubChem (CID 4974390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).