(NE,S)-N-[(3-bromophenyl)methylidene]-2-methylpropane-2-sulfinamide

C11H14BrNOS — CID 89462449

IUPAC(NE,S)-N-[(3-bromophenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)/N=C/c1cccc(Br)c1
InChIInChI=1S/C11H14BrNOS/c1-11(2,3)15(14)13-8-9-5-4-6-10(12)7-9/h4-8H,1-3H3/b13-8+/t15-/m0/s1
InChIKeyIKKMOLIJQSTKRS-NRUITVPNSA-N
MW288.21 g/mol
LogP3.33
Rot. Bonds2

About (NE,S)-N-[(3-bromophenyl)methylidene]-2-methylpropane-2-sulfinamide

(NE,S)-N-[(3-bromophenyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 89462449) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is (NE,S)-N-[(3-bromophenyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,S)-N-[(3-bromophenyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID89462449
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Name(NE,S)-N-[(3-bromophenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)/N=C/c1cccc(Br)c1
InChIInChI=1S/C11H14BrNOS/c1-11(2,3)15(14)13-8-9-5-4-6-10(12)7-9/h4-8H,1-3H3/b13-8+/t15-/m0/s1
InChIKeyIKKMOLIJQSTKRS-NRUITVPNSA-N
XLogP3.33
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (NE,S)-N-[(3-bromophenyl)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

Related Compounds

N-((3-bromophenyl)methylidene)hydroxylamine
CID 5375574
[C(Z)]-3-Bromobenzaldehyde oxime
CID 5887932
3-Bromobenzaldehyde oxime
CID 608090
(R)-N-[(1E)-1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 87126877
2-propanesulfinamide,N-[1-(2-fluoro-5-bromophenyl)ethylidene]-2-methyl,[S(R)]-
CID 58304215
(R,E)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 86660404
(S,E)-N-(1-(5-Bromo-2-fluorophenyl)ethylidene)-2-methylpropane-2-sulfinamide
CID 123725529
(S)-N-benzylidene-2-methylpropane-2-sulfinamide
CID 68520932
(NE,S)-N-[(2-bromo-4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 88956698
(NE,S)-N-[(2-bromo-5-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 71725992
(NE)-N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfinamide
CID 135035625
(NE)-N-[(4-bromophenyl)methylidene]methanesulfonamide
CID 135084270

Frequently Asked Questions

What is the IUPAC name of (NE,S)-N-[(3-bromophenyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,S)-N-[(3-bromophenyl)methylidene]-2-methylpropane-2-sulfinamide (CID 89462449) is (NE,S)-N-[(3-bromophenyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,S)-N-[(3-bromophenyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,S)-N-[(3-bromophenyl)methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)/N=C/c1cccc(Br)c1.
What is the InChIKey of (NE,S)-N-[(3-bromophenyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is IKKMOLIJQSTKRS-NRUITVPNSA-N. The full InChI is InChI=1S/C11H14BrNOS/c1-11(2,3)15(14)13-8-9-5-4-6-10(12)7-9/h4-8H,1-3H3/b13-8+/t15-/m0/s1.
What are the key properties of (NE,S)-N-[(3-bromophenyl)methylidene]-2-methylpropane-2-sulfinamide?
(NE,S)-N-[(3-bromophenyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 288.21 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,S)-N-[(3-bromophenyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 89462449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).