4-[4-(2-ethylthiomorpholin-4-yl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl]morpholine

C17H28N6OS2 — CID 110189391

IUPAC4-[4-(2-ethylthiomorpholin-4-yl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESCCC1CN(c2nc(N3CCOCC3)nc(N3CCSCC3)n2)CCS1
InChIInChI=1S/C17H28N6OS2/c1-2-14-13-23(7-12-26-14)17-19-15(21-3-8-24-9-4-21)18-16(20-17)22-5-10-25-11-6-22/h14H,2-13H2,1H3
InChIKeyKGWZXEJRZYYJAI-UHFFFAOYSA-N
MW396.59 g/mol
LogP1.59
Rot. Bonds4

About 4-[4-(2-ethylthiomorpholin-4-yl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl]morpholine

4-[4-(2-ethylthiomorpholin-4-yl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl]morpholine (PubChem CID 110189391) has the molecular formula C17H28N6OS2 and a molecular weight of 396.59 g/mol. Its IUPAC name is 4-[4-(2-ethylthiomorpholin-4-yl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2-ethylthiomorpholin-4-yl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl]morpholine
PubChem CID110189391
Molecular FormulaC17H28N6OS2
Molecular Weight396.59 g/mol
Exact Mass396.18
IUPAC Name4-[4-(2-ethylthiomorpholin-4-yl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESCCC1CN(c2nc(N3CCOCC3)nc(N3CCSCC3)n2)CCS1
InChIInChI=1S/C17H28N6OS2/c1-2-14-13-23(7-12-26-14)17-19-15(21-3-8-24-9-4-21)18-16(20-17)22-5-10-25-11-6-22/h14H,2-13H2,1H3
InChIKeyKGWZXEJRZYYJAI-UHFFFAOYSA-N
XLogP1.59
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.59
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[4-(2-ethylthiomorpholin-4-yl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl]morpholine with MolForge

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Related Compounds

2-ethyl-4-(5-methylpyrimidin-2-yl)thiomorpholine
CID 133403626
4-[5-(bromomethyl)pyrimidin-2-yl]-2-ethylthiomorpholine
CID 107085267
2-(2-ethylthiomorpholin-4-yl)pyrimidine-4-carbothioamide
CID 107548124
4-(2-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764638
4-(4,6-dimethyl-1,3,5-triazin-2-yl)morpholine;ethane
CID 159951324
4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine
CID 103365547
N-methyl-4-(3-methylthiomorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80820653
[1-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol
CID 115965991
4-[4-chloro-6-(3-methoxypyrrolidin-1-yl)-1,3,5-triazin-2-yl]morpholine
CID 103536614
1-(2-ethylthiomorpholin-4-yl)ethanone
CID 115661648
(2S)-2-ethyl-4-(2-ethylsulfonylphenyl)thiomorpholine
CID 100664431
2-ethyl-N'-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiomorpholine-4-carboximidamide
CID 109486890

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-ethylthiomorpholin-4-yl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(2-ethylthiomorpholin-4-yl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl]morpholine (CID 110189391) is 4-[4-(2-ethylthiomorpholin-4-yl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2-ethylthiomorpholin-4-yl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(2-ethylthiomorpholin-4-yl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl]morpholine is CCC1CN(c2nc(N3CCOCC3)nc(N3CCSCC3)n2)CCS1.
What is the InChIKey of 4-[4-(2-ethylthiomorpholin-4-yl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The InChIKey is KGWZXEJRZYYJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6OS2/c1-2-14-13-23(7-12-26-14)17-19-15(21-3-8-24-9-4-21)18-16(20-17)22-5-10-25-11-6-22/h14H,2-13H2,1H3.
What are the key properties of 4-[4-(2-ethylthiomorpholin-4-yl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
4-[4-(2-ethylthiomorpholin-4-yl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl]morpholine has a molecular weight of 396.59 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-ethylthiomorpholin-4-yl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 110189391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).