N-[(6-chloro-5-methoxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide

C11H15ClN2O2S — CID 167614204

IUPACN-[(6-chloro-5-methoxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCOc1cc(C=NS(=O)C(C)(C)C)cnc1Cl
InChIInChI=1S/C11H15ClN2O2S/c1-11(2,3)17(15)14-7-8-5-9(16-4)10(12)13-6-8/h5-7H,1-4H3
InChIKeyTXVAPHJYNRVMRC-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.62
Rot. Bonds3

About N-[(6-chloro-5-methoxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide

N-[(6-chloro-5-methoxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 167614204) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is N-[(6-chloro-5-methoxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(6-chloro-5-methoxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID167614204
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC NameN-[(6-chloro-5-methoxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCOc1cc(C=NS(=O)C(C)(C)C)cnc1Cl
InChIInChI=1S/C11H15ClN2O2S/c1-11(2,3)17(15)14-7-8-5-9(16-4)10(12)13-6-8/h5-7H,1-4H3
InChIKeyTXVAPHJYNRVMRC-UHFFFAOYSA-N
XLogP2.62
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.62
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'}

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Related Compounds

(R)-N-[(6-methoxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
CID 67503979
N-[(6-methoxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
CID 67503978
(S)-N-[(3-methoxy-4-methylsulfanylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 166529078
(S)-N-[(5-chloro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 150204962
(R)-N-[(3,4-dichlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 67122775
(NE)-2-methyl-N-[(2,4,6-trimethoxyphenyl)methylidene]propane-2-sulfinamide
CID 135023920
(R)-2-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methylidene]propane-2-sulfinamide
CID 172783759
(NE)-N-[(4-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 11557754
(NE,S)-N-[(4-chloro-3,5-dimethylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 58374474
(S)-N-[(4,5-difluoro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 150591949
N-[[2-(difluoromethoxy)pyrimidin-5-yl]methylidene]-2-methylpropane-2-sulfinamide
CID 162509680
2-chloro-8-fluoro-3-methoxyquinoline;N-[(2-chloro-8-fluoroquinolin-3-yl)methylidene]-2-methylpropane-2-sulfinamide
CID 161227326

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-5-methoxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(6-chloro-5-methoxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide (CID 167614204) is N-[(6-chloro-5-methoxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(6-chloro-5-methoxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(6-chloro-5-methoxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide is COc1cc(C=NS(=O)C(C)(C)C)cnc1Cl.
What is the InChIKey of N-[(6-chloro-5-methoxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is TXVAPHJYNRVMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-11(2,3)17(15)14-7-8-5-9(16-4)10(12)13-6-8/h5-7H,1-4H3.
What are the key properties of N-[(6-chloro-5-methoxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide?
N-[(6-chloro-5-methoxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 274.77 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-5-methoxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 167614204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).