2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)acetaldehyde

C5H10N2O3S — CID 84767622

IUPAC2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)acetaldehyde
SMILESCN1CCN(CC=O)S1(=O)=O
InChIInChI=1S/C5H10N2O3S/c1-6-2-3-7(4-5-8)11(6,9)10/h5H,2-4H2,1H3
InChIKeyIVTFTLHUFVHFPQ-UHFFFAOYSA-N
MW178.21 g/mol
LogP-1.32
Rot. Bonds2

About 2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)acetaldehyde

2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)acetaldehyde (PubChem CID 84767622) has the molecular formula C5H10N2O3S and a molecular weight of 178.21 g/mol. Its IUPAC name is 2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)acetaldehyde
PubChem CID84767622
Molecular FormulaC5H10N2O3S
Molecular Weight178.21 g/mol
Exact Mass178.04
IUPAC Name2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)acetaldehyde
SMILESCN1CCN(CC=O)S1(=O)=O
InChIInChI=1S/C5H10N2O3S/c1-6-2-3-7(4-5-8)11(6,9)10/h5H,2-4H2,1H3
InChIKeyIVTFTLHUFVHFPQ-UHFFFAOYSA-N
XLogP-1.32
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 5-1.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)acetaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

2-[(E)-4-chlorobut-2-enyl]-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 130536670
2,7-dimethyl-1,2,7-thiadiazepane 1,1-dioxide
CID 59417812
N,N-dimethyl-2-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)ethanamine
CID 117026603
5-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 166079450
2-[(2-bromo-4-methylphenyl)methyl]-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 167890269
2-[4,7-bis(2-oxoethyl)-1,4,7-triazonan-1-yl]acetaldehyde
CID 20775518
2-cyclopentyl-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 117026527
2-(3-methyl-2-oxoimidazolidin-1-yl)acetaldehyde
CID 57135184
benzyl N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]carbamate
CID 138607185
3-[4-(2-oxoethyl)piperazin-1-yl]propanal
CID 171115042
3-(1-methylpiperidin-3-yl)propanal
CID 83905184
2-(2-oxo-3-propylimidazolidin-1-yl)acetaldehyde
CID 84765786

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)acetaldehyde?
The IUPAC name of 2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)acetaldehyde (CID 84767622) is 2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)acetaldehyde.
What is the SMILES notation for 2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)acetaldehyde?
The canonical SMILES for 2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)acetaldehyde is CN1CCN(CC=O)S1(=O)=O.
What is the InChIKey of 2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)acetaldehyde?
The InChIKey is IVTFTLHUFVHFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3S/c1-6-2-3-7(4-5-8)11(6,9)10/h5H,2-4H2,1H3.
What are the key properties of 2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)acetaldehyde?
2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)acetaldehyde has a molecular weight of 178.21 g/mol, XLogP of -1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)acetaldehyde is sourced from PubChem (CID 84767622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).