N-(5'-Bromospiro[cyclobutane-1,2'-indene]-3'(1'H)-ylidene)-2-methylpropane-2-sulfinamide

HCID 67979440

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C)(C)S(=O)N=C1c2cc(Br)ccc2CC12CCC2
InChIKey: WWDNDVXGCMXBRJ-UHFFFAOYSA-N
Molecular formula: C16H20BrNOS
Average molar mass: 354.3 g/mol

Names & identifiers

Preferred name: N-(5'-Bromospiro[cyclobutane-1,2'-indene]-3'(1'H)-ylidene)-2-methylpropane-2-sulfinamide
IUPAC: N-(6-bromospiro[3H-indene-2,1'-cyclobutane]-1-ylidene)-2-methylpropane-2-sulfinamide

Names & synonyms

SCHEMBL9948121SCHEMBL9948122SCHEMBL10270989WWDNDVXGCMXBRJ-UHFFFAOYSA-NN-(5'-Bromospiro[cyclobutane-1,2'-indene]-3'(1'H)-ylidene)-2-methylpropane-2-sulfinamide

Database identifiers

PubChem CID: 67979440

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 48.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 450

Related reactions

8 records

New reaction record

HRID 539371As productuspto-grants-2014_10

HRID 539372As reactantuspto-grants-2014_10

HRID 1112907As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1558341As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1770974As productuspto-grants-2016_02

HRID 1770975As reactantuspto-grants-2016_02

HRID 1965135As productuspto-grants-2013_04

HRID 1965136As reactantuspto-grants-2013_04

Compound notes

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