2-(2-Methyl-4-nitrophenylimino)-3-thia-1-azaspiro[4.4]nonane

HCID 178428736
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Basic information

Standard SMILES
Cc1cc([N+](=O)[O-])ccc1N=C1NC2(CCCC2)CS1
InChIKey
CNVVMGOWGRDWAB-UHFFFAOYSA-N
Molecular formula
C14H17N3O2S
Average molar mass
291.37 g/mol
Monoisotopic mass
291.10414797

Names & identifiers

Preferred name
2-(2-Methyl-4-nitrophenylimino)-3-thia-1-azaspiro[4.4]nonane
IUPAC
N-(2-methyl-4-nitrophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine

Names & synonyms

SCHEMBL7112924SCHEMBL7112926CNVVMGOWGRDWAB-UHFFFAOYSA-N2-(2-methyl-4-nitrophenylimino)-3-thia-1-azaspiro[4.4]nonane

Database identifiers

PubChem CID
18316076

Properties

Computed structural properties

XLogP
3
Topological polar surface area
95.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
20

Related reactions

40 records
New reaction record

Linked notes

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2-(2-Methyl-4-nitrophenylimino)-3-thia-1-azaspiro[4.4]nonane (HCID 178428736)｜Huagongshe