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

HCID 178510030
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Basic information

Standard SMILES
N#Cc1ccc(N=C2NC3(CCCC3)CS2)cc1
InChIKey
SYTMLHLJMBERFW-UHFFFAOYSA-N
Molecular formula
C14H15N3S
Average molar mass
257.36 g/mol
Monoisotopic mass
257.09866866

Names & identifiers

Preferred name
2-(4-Cyanophenylimino)-3-thia-1-azaspiro[4.4]nonane
IUPAC
4-(3-thia-1-azaspiro[4.4]non-1-en-2-ylamino)benzonitrile

Names & synonyms

SCHEMBL7119496SCHEMBL7119498SYTMLHLJMBERFW-UHFFFAOYSA-NAKOS0118152832-(4-cyanophenylimino)-3-thia-1-azaspiro[4.4]nonane

Database identifiers

PubChem CID
18316537

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
73.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
18

Related reactions

4 records
New reaction record

Linked notes

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