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5-(1,1-Dioxidothiomorpholin-4-yl)-2-morpholin-4-ylpyridin-3-amine

HCID 59631237
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1cc(N2CCS(=O)(=O)CC2)cnc1N1CCOCC1
InChIKey
VTIZLTNTMWGWTC-UHFFFAOYSA-N
Molecular formula
C13H20N4O3S
Average molar mass
312.39 g/mol

Names & identifiers

Preferred name
5-(1,1-Dioxidothiomorpholin-4-yl)-2-morpholin-4-ylpyridin-3-amine
IUPAC
5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyridin-3-amine

Names & synonyms

SCHEMBL3784720VTIZLTNTMWGWTC-UHFFFAOYSA-N5-(1,1-dioxidothiomorpholin-4-yl)-2-morpholin-4-ylpyridin-3-amine

Database identifiers

PubChem CID
59631237

Properties

Computed structural properties

XLogP
-0.5
Topological polar surface area
97.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
21
Formal charge
0
Complexity
433

Related reactions

2 records
New reaction record
HRID 1431262 reaction equation
HRID 1431262As productuspto-grants-2015_01
HRID 1431263 reaction equation
HRID 1431263As reactantuspto-grants-2015_01

Compound notes

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