morpholin-4-yl(1,4-oxathian-2-yl)methanimine

C9H16N2O2S — CID 79969824

IUPACmorpholin-4-yl(1,4-oxathian-2-yl)methanimine
SMILES[H]/N=C(/C1CSCCO1)N1CCOCC1
InChIInChI=1S/C9H16N2O2S/c10-9(8-7-14-6-5-13-8)11-1-3-12-4-2-11/h8,10H,1-7H2/b10-9-
InChIKeyHJFTUZLZKDJJBS-KTKRTIGZSA-N
MW216.31 g/mol
LogP0.43
Rot. Bonds1

About morpholin-4-yl(1,4-oxathian-2-yl)methanimine

morpholin-4-yl(1,4-oxathian-2-yl)methanimine (PubChem CID 79969824) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is morpholin-4-yl(1,4-oxathian-2-yl)methanimine.

Molecular Properties

Compound Namemorpholin-4-yl(1,4-oxathian-2-yl)methanimine
PubChem CID79969824
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Namemorpholin-4-yl(1,4-oxathian-2-yl)methanimine
SMILES[H]/N=C(/C1CSCCO1)N1CCOCC1
InChIInChI=1S/C9H16N2O2S/c10-9(8-7-14-6-5-13-8)11-1-3-12-4-2-11/h8,10H,1-7H2/b10-9-
InChIKeyHJFTUZLZKDJJBS-KTKRTIGZSA-N
XLogP0.43
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze morpholin-4-yl(1,4-oxathian-2-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Ethanimidoylthiomorpholin-2-yl)-1-morpholin-4-ylethanimine
CID 129059208
1-Morpholin-4-yl-2-propylsulfanylethanimine
CID 65134588
2-Butan-2-ylsulfanyl-1-morpholin-4-ylethanimine
CID 65141150
1,4-Dithian-2-yl(morpholin-4-yl)methanimine
CID 79965800
N,N-diethyl-1,4-oxathiane-2-carboximidamide
CID 79969680
1,4-Oxathian-2-yl(pyrrolidin-1-yl)methanimine
CID 79969681
1,4-Oxathian-2-yl(piperidin-1-yl)methanimine
CID 79969823
(4-Methylpiperazin-1-yl)-(1,4-oxathian-2-yl)methanimine
CID 79969987
Morpholin-4-yl(thian-2-yl)methanimine
CID 80637088
(5,6-Dimethyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine
CID 103346877
(4-Methylthiomorpholin-3-yl)-morpholin-4-ylmethanimine
CID 106446019
(3-Methyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine
CID 115388969

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl(1,4-oxathian-2-yl)methanimine?
The IUPAC name of morpholin-4-yl(1,4-oxathian-2-yl)methanimine (CID 79969824) is morpholin-4-yl(1,4-oxathian-2-yl)methanimine.
What is the SMILES notation for morpholin-4-yl(1,4-oxathian-2-yl)methanimine?
The canonical SMILES for morpholin-4-yl(1,4-oxathian-2-yl)methanimine is [H]/N=C(/C1CSCCO1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl(1,4-oxathian-2-yl)methanimine?
The InChIKey is HJFTUZLZKDJJBS-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H16N2O2S/c10-9(8-7-14-6-5-13-8)11-1-3-12-4-2-11/h8,10H,1-7H2/b10-9-.
What are the key properties of morpholin-4-yl(1,4-oxathian-2-yl)methanimine?
morpholin-4-yl(1,4-oxathian-2-yl)methanimine has a molecular weight of 216.31 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl(1,4-oxathian-2-yl)methanimine is sourced from PubChem (CID 79969824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).