(NE)-N-[1-(6-bromo-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide

C11H15BrN2OS — CID 118664062

IUPAC(NE)-N-[1-(6-bromo-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N\S(=O)C(C)(C)C)c1cccc(Br)n1
InChIInChI=1S/C11H15BrN2OS/c1-8(14-16(15)11(2,3)4)9-6-5-7-10(12)13-9/h5-7H,1-4H3/b14-8+
InChIKeyLTZOASGARDRYJV-RIYZIHGNSA-N
MW303.23 g/mol
LogP3.12
Rot. Bonds2

About (NE)-N-[1-(6-bromo-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide

(NE)-N-[1-(6-bromo-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 118664062) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is (NE)-N-[1-(6-bromo-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE)-N-[1-(6-bromo-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID118664062
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC Name(NE)-N-[1-(6-bromo-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N\S(=O)C(C)(C)C)c1cccc(Br)n1
InChIInChI=1S/C11H15BrN2OS/c1-8(14-16(15)11(2,3)4)9-6-5-7-10(12)13-9/h5-7H,1-4H3/b14-8+
InChIKeyLTZOASGARDRYJV-RIYZIHGNSA-N
XLogP3.12
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.12
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'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(6-bromo-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE)-N-[1-(6-bromo-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide (CID 118664062) is (NE)-N-[1-(6-bromo-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE)-N-[1-(6-bromo-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE)-N-[1-(6-bromo-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide is C/C(=N\S(=O)C(C)(C)C)c1cccc(Br)n1.
What is the InChIKey of (NE)-N-[1-(6-bromo-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is LTZOASGARDRYJV-RIYZIHGNSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-8(14-16(15)11(2,3)4)9-6-5-7-10(12)13-9/h5-7H,1-4H3/b14-8+.
What are the key properties of (NE)-N-[1-(6-bromo-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide?
(NE)-N-[1-(6-bromo-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 303.23 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(6-bromo-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 118664062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).