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

C11H16N2O2S — CID 123541995

IUPACN-[(6-methoxy-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCOc1cccc(C=NS(=O)C(C)(C)C)n1
InChIInChI=1S/C11H16N2O2S/c1-11(2,3)16(14)12-8-9-6-5-7-10(13-9)15-4/h5-8H,1-4H3
InChIKeyBREREXQRUUGQSH-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.97
Rot. Bonds3

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

N-[(6-methoxy-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 123541995) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-[(6-methoxy-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(6-methoxy-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID123541995
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-[(6-methoxy-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCOc1cccc(C=NS(=O)C(C)(C)C)n1
InChIInChI=1S/C11H16N2O2S/c1-11(2,3)16(14)12-8-9-6-5-7-10(13-9)15-4/h5-8H,1-4H3
InChIKeyBREREXQRUUGQSH-UHFFFAOYSA-N
XLogP1.97
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(6-methoxy-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide (CID 123541995) is N-[(6-methoxy-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(6-methoxy-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(6-methoxy-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide is COc1cccc(C=NS(=O)C(C)(C)C)n1.
What is the InChIKey of N-[(6-methoxy-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is BREREXQRUUGQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-11(2,3)16(14)12-8-9-6-5-7-10(13-9)15-4/h5-8H,1-4H3.
What are the key properties of N-[(6-methoxy-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide?
N-[(6-methoxy-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 240.33 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 123541995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).