3-Methoxy-4-[7-(piperidino)hept-5-ynylamino]-1,2,5-thiadiazole-1-oxide

HCID 20147656
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Basic information

Standard SMILES
COC1=NS(=O)N=C1NCCCCC#CCN1CCCCC1
InChIKey
YMTUWJMCNCKYMH-UHFFFAOYSA-N
Molecular formula
C15H24N4O2S
Average molar mass
324.4 g/mol

Names & identifiers

Preferred name
3-Methoxy-4-[7-(piperidino)hept-5-ynylamino]-1,2,5-thiadiazole-1-oxide
IUPAC
4-methoxy-1-oxo-N-(7-piperidin-1-ylhept-5-ynyl)-1,2,5-thiadiazol-3-amine

Names & synonyms

YMTUWJMCNCKYMH-UHFFFAOYSA-N3-methoxy-4-[7-(piperidino)hept-5-ynylamino]-1,2,5-thiadiazole-1-oxide

Database identifiers

PubChem CID
20147656

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
85.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
22

Related reactions

3 records
New reaction record

Compound notes

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