N-[(5-fluoropyrimidin-2-yl)methylidene]-2-methylpropane-2-sulfinamide

C9H12FN3OS — CID 66624389

IUPACN-[(5-fluoropyrimidin-2-yl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=Cc1ncc(F)cn1
InChIInChI=1S/C9H12FN3OS/c1-9(2,3)15(14)13-6-8-11-4-7(10)5-12-8/h4-6H,1-3H3
InChIKeyANUAFQXAJLIYMG-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.50
Rot. Bonds2

About N-[(5-fluoropyrimidin-2-yl)methylidene]-2-methylpropane-2-sulfinamide

N-[(5-fluoropyrimidin-2-yl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 66624389) has the molecular formula C9H12FN3OS and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[(5-fluoropyrimidin-2-yl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(5-fluoropyrimidin-2-yl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID66624389
Molecular FormulaC9H12FN3OS
Molecular Weight229.28 g/mol
Exact Mass229.07
IUPAC NameN-[(5-fluoropyrimidin-2-yl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=Cc1ncc(F)cn1
InChIInChI=1S/C9H12FN3OS/c1-9(2,3)15(14)13-6-8-11-4-7(10)5-12-8/h4-6H,1-3H3
InChIKeyANUAFQXAJLIYMG-UHFFFAOYSA-N
XLogP1.50
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(5-fluoropyrimidin-2-yl)methylidene]-2-methylpropane-2-sulfinamide 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-[(5-fluoropyrimidin-2-yl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(5-fluoropyrimidin-2-yl)methylidene]-2-methylpropane-2-sulfinamide (CID 66624389) is N-[(5-fluoropyrimidin-2-yl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(5-fluoropyrimidin-2-yl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(5-fluoropyrimidin-2-yl)methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N=Cc1ncc(F)cn1.
What is the InChIKey of N-[(5-fluoropyrimidin-2-yl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is ANUAFQXAJLIYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3OS/c1-9(2,3)15(14)13-6-8-11-4-7(10)5-12-8/h4-6H,1-3H3.
What are the key properties of N-[(5-fluoropyrimidin-2-yl)methylidene]-2-methylpropane-2-sulfinamide?
N-[(5-fluoropyrimidin-2-yl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 229.28 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoropyrimidin-2-yl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 66624389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).