ethane;1-morpholin-4-ylethanimine;1-thiomorpholin-4-ylethanimine

C14H30N4OS — CID 142132176

IUPACethane;1-morpholin-4-ylethanimine;1-thiomorpholin-4-ylethanimine
SMILESCC.[H]/N=C(\C)N1CCOCC1.[H]/N=C(\C)N1CCSCC1
InChIInChI=1S/C6H12N2O.C6H12N2S.C2H6/c2*1-6(7)8-2-4-9-5-3-8;1-2/h2*7H,2-5H2,1H3;1-2H3/b2*7-6+;
InChIKeyJCBKHEHZPHQVHN-RWUXNGIBSA-N
MW302.49 g/mol
LogP2.37
Rot. Bonds

About ethane;1-morpholin-4-ylethanimine;1-thiomorpholin-4-ylethanimine

ethane;1-morpholin-4-ylethanimine;1-thiomorpholin-4-ylethanimine (PubChem CID 142132176) has the molecular formula C14H30N4OS and a molecular weight of 302.49 g/mol. Its IUPAC name is ethane;1-morpholin-4-ylethanimine;1-thiomorpholin-4-ylethanimine.

Molecular Properties

Compound Nameethane;1-morpholin-4-ylethanimine;1-thiomorpholin-4-ylethanimine
PubChem CID142132176
Molecular FormulaC14H30N4OS
Molecular Weight302.49 g/mol
Exact Mass302.21
IUPAC Nameethane;1-morpholin-4-ylethanimine;1-thiomorpholin-4-ylethanimine
SMILESCC.[H]/N=C(\C)N1CCOCC1.[H]/N=C(\C)N1CCSCC1
InChIInChI=1S/C6H12N2O.C6H12N2S.C2H6/c2*1-6(7)8-2-4-9-5-3-8;1-2/h2*7H,2-5H2,1H3;1-2H3/b2*7-6+;
InChIKeyJCBKHEHZPHQVHN-RWUXNGIBSA-N
XLogP2.37
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;1-morpholin-4-ylethanimine;1-thiomorpholin-4-ylethanimine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;1-morpholin-4-ylethanimine;1-thiomorpholin-4-ylethanimine?
The IUPAC name of ethane;1-morpholin-4-ylethanimine;1-thiomorpholin-4-ylethanimine (CID 142132176) is ethane;1-morpholin-4-ylethanimine;1-thiomorpholin-4-ylethanimine.
What is the SMILES notation for ethane;1-morpholin-4-ylethanimine;1-thiomorpholin-4-ylethanimine?
The canonical SMILES for ethane;1-morpholin-4-ylethanimine;1-thiomorpholin-4-ylethanimine is CC.[H]/N=C(\C)N1CCOCC1.[H]/N=C(\C)N1CCSCC1.
What is the InChIKey of ethane;1-morpholin-4-ylethanimine;1-thiomorpholin-4-ylethanimine?
The InChIKey is JCBKHEHZPHQVHN-RWUXNGIBSA-N. The full InChI is InChI=1S/C6H12N2O.C6H12N2S.C2H6/c2*1-6(7)8-2-4-9-5-3-8;1-2/h2*7H,2-5H2,1H3;1-2H3/b2*7-6+;.
What are the key properties of ethane;1-morpholin-4-ylethanimine;1-thiomorpholin-4-ylethanimine?
ethane;1-morpholin-4-ylethanimine;1-thiomorpholin-4-ylethanimine has a molecular weight of 302.49 g/mol, XLogP of 2.37, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-morpholin-4-ylethanimine;1-thiomorpholin-4-ylethanimine is sourced from PubChem (CID 142132176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).