N-[(6-chloro-2-propan-2-yloxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide

C13H19ClN2O2S — CID 169081761

IUPACN-[(6-chloro-2-propan-2-yloxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)Oc1nc(Cl)ccc1C=NS(=O)C(C)(C)C
InChIInChI=1S/C13H19ClN2O2S/c1-9(2)18-12-10(6-7-11(14)16-12)8-15-19(17)13(3,4)5/h6-9H,1-5H3
InChIKeyUDNGVPOYOZYKLG-UHFFFAOYSA-N
MW302.83 g/mol
LogP3.40
Rot. Bonds4

About N-[(6-chloro-2-propan-2-yloxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide

N-[(6-chloro-2-propan-2-yloxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 169081761) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is N-[(6-chloro-2-propan-2-yloxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(6-chloro-2-propan-2-yloxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID169081761
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC NameN-[(6-chloro-2-propan-2-yloxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)Oc1nc(Cl)ccc1C=NS(=O)C(C)(C)C
InChIInChI=1S/C13H19ClN2O2S/c1-9(2)18-12-10(6-7-11(14)16-12)8-15-19(17)13(3,4)5/h6-9H,1-5H3
InChIKeyUDNGVPOYOZYKLG-UHFFFAOYSA-N
XLogP3.40
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(6-chloro-2-propan-2-yloxy-3-pyridinyl)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-[(6-chloro-2-propan-2-yloxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(6-chloro-2-propan-2-yloxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide (CID 169081761) is N-[(6-chloro-2-propan-2-yloxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(6-chloro-2-propan-2-yloxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(6-chloro-2-propan-2-yloxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide is CC(C)Oc1nc(Cl)ccc1C=NS(=O)C(C)(C)C.
What is the InChIKey of N-[(6-chloro-2-propan-2-yloxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is UDNGVPOYOZYKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-9(2)18-12-10(6-7-11(14)16-12)8-15-19(17)13(3,4)5/h6-9H,1-5H3.
What are the key properties of N-[(6-chloro-2-propan-2-yloxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide?
N-[(6-chloro-2-propan-2-yloxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 302.83 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-2-propan-2-yloxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 169081761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).