2-(4-ethanimidoylthiomorpholin-2-yl)-1-morpholin-4-ylethanimine

C12H22N4OS — CID 129059208

IUPAC2-(4-ethanimidoylthiomorpholin-2-yl)-1-morpholin-4-ylethanimine
SMILES[H]/N=C(/CC1CN(/C(C)=N/[H])CCS1)N1CCOCC1
InChIInChI=1S/C12H22N4OS/c1-10(13)16-4-7-18-11(9-16)8-12(14)15-2-5-17-6-3-15/h11,13-14H,2-9H2,1H3/b13-10+,14-12-
InChIKeyQINXAGQMJGAVKZ-QDLALYNESA-N
MW270.40 g/mol
LogP1.10
Rot. Bonds2

About 2-(4-ethanimidoylthiomorpholin-2-yl)-1-morpholin-4-ylethanimine

2-(4-ethanimidoylthiomorpholin-2-yl)-1-morpholin-4-ylethanimine (PubChem CID 129059208) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-(4-ethanimidoylthiomorpholin-2-yl)-1-morpholin-4-ylethanimine.

Molecular Properties

Compound Name2-(4-ethanimidoylthiomorpholin-2-yl)-1-morpholin-4-ylethanimine
PubChem CID129059208
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name2-(4-ethanimidoylthiomorpholin-2-yl)-1-morpholin-4-ylethanimine
SMILES[H]/N=C(/CC1CN(/C(C)=N/[H])CCS1)N1CCOCC1
InChIInChI=1S/C12H22N4OS/c1-10(13)16-4-7-18-11(9-16)8-12(14)15-2-5-17-6-3-15/h11,13-14H,2-9H2,1H3/b13-10+,14-12-
InChIKeyQINXAGQMJGAVKZ-QDLALYNESA-N
XLogP1.10
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.10
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethanimidoylthiomorpholin-2-yl)-1-morpholin-4-ylethanimine?
The IUPAC name of 2-(4-ethanimidoylthiomorpholin-2-yl)-1-morpholin-4-ylethanimine (CID 129059208) is 2-(4-ethanimidoylthiomorpholin-2-yl)-1-morpholin-4-ylethanimine.
What is the SMILES notation for 2-(4-ethanimidoylthiomorpholin-2-yl)-1-morpholin-4-ylethanimine?
The canonical SMILES for 2-(4-ethanimidoylthiomorpholin-2-yl)-1-morpholin-4-ylethanimine is [H]/N=C(/CC1CN(/C(C)=N/[H])CCS1)N1CCOCC1.
What is the InChIKey of 2-(4-ethanimidoylthiomorpholin-2-yl)-1-morpholin-4-ylethanimine?
The InChIKey is QINXAGQMJGAVKZ-QDLALYNESA-N. The full InChI is InChI=1S/C12H22N4OS/c1-10(13)16-4-7-18-11(9-16)8-12(14)15-2-5-17-6-3-15/h11,13-14H,2-9H2,1H3/b13-10+,14-12-.
What are the key properties of 2-(4-ethanimidoylthiomorpholin-2-yl)-1-morpholin-4-ylethanimine?
2-(4-ethanimidoylthiomorpholin-2-yl)-1-morpholin-4-ylethanimine has a molecular weight of 270.40 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethanimidoylthiomorpholin-2-yl)-1-morpholin-4-ylethanimine is sourced from PubChem (CID 129059208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).