(NE,R)-N-[1-(6-bromo-3-pyridinyl)propylidene]-2-methylpropane-2-sulfinamide

C12H17BrN2OS — CID 59278489

IUPAC(NE,R)-N-[1-(6-bromo-3-pyridinyl)propylidene]-2-methylpropane-2-sulfinamide
SMILESCC/C(=N\[S@](=O)C(C)(C)C)c1ccc(Br)nc1
InChIInChI=1S/C12H17BrN2OS/c1-5-10(15-17(16)12(2,3)4)9-6-7-11(13)14-8-9/h6-8H,5H2,1-4H3/b15-10+/t17-/m1/s1
InChIKeyXUQWKILIYYEYSS-IUYQLWOBSA-N
MW317.25 g/mol
LogP3.51
Rot. Bonds3

About (NE,R)-N-[1-(6-bromo-3-pyridinyl)propylidene]-2-methylpropane-2-sulfinamide

(NE,R)-N-[1-(6-bromo-3-pyridinyl)propylidene]-2-methylpropane-2-sulfinamide (PubChem CID 59278489) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is (NE,R)-N-[1-(6-bromo-3-pyridinyl)propylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-N-[1-(6-bromo-3-pyridinyl)propylidene]-2-methylpropane-2-sulfinamide
PubChem CID59278489
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name(NE,R)-N-[1-(6-bromo-3-pyridinyl)propylidene]-2-methylpropane-2-sulfinamide
SMILESCC/C(=N\[S@](=O)C(C)(C)C)c1ccc(Br)nc1
InChIInChI=1S/C12H17BrN2OS/c1-5-10(15-17(16)12(2,3)4)9-6-7-11(13)14-8-9/h6-8H,5H2,1-4H3/b15-10+/t17-/m1/s1
InChIKeyXUQWKILIYYEYSS-IUYQLWOBSA-N
XLogP3.51
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 53.51
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 (NE,R)-N-[1-(6-bromo-3-pyridinyl)propylidene]-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

Related Compounds

(NE,R)-N-[1-(4-bromo-2-pyridinyl)propylidene]-2-methylpropane-2-sulfinamide
CID 163271644
(R)-N-[1-(2-bromo-4-pyridinyl)butylidene]-2-methylpropane-2-sulfinamide
CID 130227352
(NE,S)-N-[(6-bromo-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
CID 163337448
6-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide
CID 115968711
5-[N-[(R)-tert-butylsulfinyl]-C-(2-cyclopropylethyl)carbonimidoyl]pyridine-2-carboxamide
CID 126665869
(S)-N-[1-(6-bromo-3-pyridinyl)butyl]-2-methylpropane-2-sulfinamide
CID 90939981
6-bromo-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
CID 103461110
ethyl (4E)-4-[(S)-tert-butylsulfinyl]imino-4-(4-chlorophenyl)butanoate
CID 71662115
(NE,R)-N-[1-(6-bromo-2-pyridinyl)-4,4,4-trifluorobutylidene]-2-methylpropane-2-sulfinamide
CID 118664091
(S)-N-[4-chloro-1-(4-methoxyphenyl)butylidene]-2-methylpropane-2-sulfinamide
CID 86674225
(NZ,S)-2-methyl-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethylidene]propane-2-sulfinamide
CID 156776974
2-[(6-bromopyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 66463637

Frequently Asked Questions

What is the IUPAC name of (NE,R)-N-[1-(6-bromo-3-pyridinyl)propylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,R)-N-[1-(6-bromo-3-pyridinyl)propylidene]-2-methylpropane-2-sulfinamide (CID 59278489) is (NE,R)-N-[1-(6-bromo-3-pyridinyl)propylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,R)-N-[1-(6-bromo-3-pyridinyl)propylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,R)-N-[1-(6-bromo-3-pyridinyl)propylidene]-2-methylpropane-2-sulfinamide is CC/C(=N\[S@](=O)C(C)(C)C)c1ccc(Br)nc1.
What is the InChIKey of (NE,R)-N-[1-(6-bromo-3-pyridinyl)propylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is XUQWKILIYYEYSS-IUYQLWOBSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c1-5-10(15-17(16)12(2,3)4)9-6-7-11(13)14-8-9/h6-8H,5H2,1-4H3/b15-10+/t17-/m1/s1.
What are the key properties of (NE,R)-N-[1-(6-bromo-3-pyridinyl)propylidene]-2-methylpropane-2-sulfinamide?
(NE,R)-N-[1-(6-bromo-3-pyridinyl)propylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 317.25 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-N-[1-(6-bromo-3-pyridinyl)propylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 59278489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).