(NE)-N-[(1-bromonaphthalen-2-yl)methylidene]-2-methylpropane-2-sulfinamide

C15H16BrNOS — CID 87427277

IUPAC(NE)-N-[(1-bromonaphthalen-2-yl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)/N=C/c1ccc2ccccc2c1Br
InChIInChI=1S/C15H16BrNOS/c1-15(2,3)19(18)17-10-12-9-8-11-6-4-5-7-13(11)14(12)16/h4-10H,1-3H3/b17-10+
InChIKeyCHPYUMFZLADGLF-LICLKQGHSA-N
MW338.27 g/mol
LogP4.48
Rot. Bonds2

About (NE)-N-[(1-bromonaphthalen-2-yl)methylidene]-2-methylpropane-2-sulfinamide

(NE)-N-[(1-bromonaphthalen-2-yl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 87427277) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is (NE)-N-[(1-bromonaphthalen-2-yl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE)-N-[(1-bromonaphthalen-2-yl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID87427277
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name(NE)-N-[(1-bromonaphthalen-2-yl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)/N=C/c1ccc2ccccc2c1Br
InChIInChI=1S/C15H16BrNOS/c1-15(2,3)19(18)17-10-12-9-8-11-6-4-5-7-13(11)14(12)16/h4-10H,1-3H3/b17-10+
InChIKeyCHPYUMFZLADGLF-LICLKQGHSA-N
XLogP4.48
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (NE)-N-[(1-bromonaphthalen-2-yl)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

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(1-bromonaphthalen-2-yl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE)-N-[(1-bromonaphthalen-2-yl)methylidene]-2-methylpropane-2-sulfinamide (CID 87427277) is (NE)-N-[(1-bromonaphthalen-2-yl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE)-N-[(1-bromonaphthalen-2-yl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE)-N-[(1-bromonaphthalen-2-yl)methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)/N=C/c1ccc2ccccc2c1Br.
What is the InChIKey of (NE)-N-[(1-bromonaphthalen-2-yl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is CHPYUMFZLADGLF-LICLKQGHSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-15(2,3)19(18)17-10-12-9-8-11-6-4-5-7-13(11)14(12)16/h4-10H,1-3H3/b17-10+.
What are the key properties of (NE)-N-[(1-bromonaphthalen-2-yl)methylidene]-2-methylpropane-2-sulfinamide?
(NE)-N-[(1-bromonaphthalen-2-yl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 338.27 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1-bromonaphthalen-2-yl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 87427277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).