formaldehyde;thiohydroxylamine;1-(2,4,4-trimethylpentan-2-yl)pyrrole-2,5-dione

C13H24N2O3S — CID 165141180

IUPACformaldehyde;thiohydroxylamine;1-(2,4,4-trimethylpentan-2-yl)pyrrole-2,5-dione
SMILESC=O.CC(C)(C)CC(C)(C)N1C(=O)C=CC1=O.NS
InChIInChI=1S/C12H19NO2.CH2O.H3NS/c1-11(2,3)8-12(4,5)13-9(14)6-7-10(13)15;2*1-2/h6-7H,8H2,1-5H3;1H2;2H,1H2
InChIKeyLSLGGLVVPXOLSV-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.73
Rot. Bonds2

About formaldehyde;thiohydroxylamine;1-(2,4,4-trimethylpentan-2-yl)pyrrole-2,5-dione

formaldehyde;thiohydroxylamine;1-(2,4,4-trimethylpentan-2-yl)pyrrole-2,5-dione (PubChem CID 165141180) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is formaldehyde;thiohydroxylamine;1-(2,4,4-trimethylpentan-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Nameformaldehyde;thiohydroxylamine;1-(2,4,4-trimethylpentan-2-yl)pyrrole-2,5-dione
PubChem CID165141180
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Nameformaldehyde;thiohydroxylamine;1-(2,4,4-trimethylpentan-2-yl)pyrrole-2,5-dione
SMILESC=O.CC(C)(C)CC(C)(C)N1C(=O)C=CC1=O.NS
InChIInChI=1S/C12H19NO2.CH2O.H3NS/c1-11(2,3)8-12(4,5)13-9(14)6-7-10(13)15;2*1-2/h6-7H,8H2,1-5H3;1H2;2H,1H2
InChIKeyLSLGGLVVPXOLSV-UHFFFAOYSA-N
XLogP1.73
TPSA80.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze formaldehyde;thiohydroxylamine;1-(2,4,4-trimethylpentan-2-yl)pyrrole-2,5-dione 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 formaldehyde;thiohydroxylamine;1-(2,4,4-trimethylpentan-2-yl)pyrrole-2,5-dione?
The IUPAC name of formaldehyde;thiohydroxylamine;1-(2,4,4-trimethylpentan-2-yl)pyrrole-2,5-dione (CID 165141180) is formaldehyde;thiohydroxylamine;1-(2,4,4-trimethylpentan-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for formaldehyde;thiohydroxylamine;1-(2,4,4-trimethylpentan-2-yl)pyrrole-2,5-dione?
The canonical SMILES for formaldehyde;thiohydroxylamine;1-(2,4,4-trimethylpentan-2-yl)pyrrole-2,5-dione is C=O.CC(C)(C)CC(C)(C)N1C(=O)C=CC1=O.NS.
What is the InChIKey of formaldehyde;thiohydroxylamine;1-(2,4,4-trimethylpentan-2-yl)pyrrole-2,5-dione?
The InChIKey is LSLGGLVVPXOLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.CH2O.H3NS/c1-11(2,3)8-12(4,5)13-9(14)6-7-10(13)15;2*1-2/h6-7H,8H2,1-5H3;1H2;2H,1H2.
What are the key properties of formaldehyde;thiohydroxylamine;1-(2,4,4-trimethylpentan-2-yl)pyrrole-2,5-dione?
formaldehyde;thiohydroxylamine;1-(2,4,4-trimethylpentan-2-yl)pyrrole-2,5-dione has a molecular weight of 288.41 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;thiohydroxylamine;1-(2,4,4-trimethylpentan-2-yl)pyrrole-2,5-dione is sourced from PubChem (CID 165141180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).