(R)-N-[(2,6-dichloroquinolin-3-yl)methylidene]-2-methylpropane-2-sulfinamide

C14H14Cl2N2OS — CID 118953601

IUPAC(R)-N-[(2,6-dichloroquinolin-3-yl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=Cc1cc2cc(Cl)ccc2nc1Cl
InChIInChI=1S/C14H14Cl2N2OS/c1-14(2,3)20(19)17-8-10-6-9-7-11(15)4-5-12(9)18-13(10)16/h4-8H,1-3H3/t20-/m1/s1
InChIKeyJLEFKXNYVOTIJZ-HXUWFJFHSA-N
MW329.25 g/mol
LogP4.42
Rot. Bonds2

About (R)-N-[(2,6-dichloroquinolin-3-yl)methylidene]-2-methylpropane-2-sulfinamide

(R)-N-[(2,6-dichloroquinolin-3-yl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 118953601) has the molecular formula C14H14Cl2N2OS and a molecular weight of 329.25 g/mol. Its IUPAC name is (R)-N-[(2,6-dichloroquinolin-3-yl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(2,6-dichloroquinolin-3-yl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID118953601
Molecular FormulaC14H14Cl2N2OS
Molecular Weight329.25 g/mol
Exact Mass328.02
IUPAC Name(R)-N-[(2,6-dichloroquinolin-3-yl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=Cc1cc2cc(Cl)ccc2nc1Cl
InChIInChI=1S/C14H14Cl2N2OS/c1-14(2,3)20(19)17-8-10-6-9-7-11(15)4-5-12(9)18-13(10)16/h4-8H,1-3H3/t20-/m1/s1
InChIKeyJLEFKXNYVOTIJZ-HXUWFJFHSA-N
XLogP4.42
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (R)-N-[(2,6-dichloroquinolin-3-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 (R)-N-[(2,6-dichloroquinolin-3-yl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(2,6-dichloroquinolin-3-yl)methylidene]-2-methylpropane-2-sulfinamide (CID 118953601) is (R)-N-[(2,6-dichloroquinolin-3-yl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(2,6-dichloroquinolin-3-yl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(2,6-dichloroquinolin-3-yl)methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N=Cc1cc2cc(Cl)ccc2nc1Cl.
What is the InChIKey of (R)-N-[(2,6-dichloroquinolin-3-yl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is JLEFKXNYVOTIJZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C14H14Cl2N2OS/c1-14(2,3)20(19)17-8-10-6-9-7-11(15)4-5-12(9)18-13(10)16/h4-8H,1-3H3/t20-/m1/s1.
What are the key properties of (R)-N-[(2,6-dichloroquinolin-3-yl)methylidene]-2-methylpropane-2-sulfinamide?
(R)-N-[(2,6-dichloroquinolin-3-yl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 329.25 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(2,6-dichloroquinolin-3-yl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 118953601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).