2-ethylsulfanyl-1-morpholin-4-ylethanimine

C8H16N2OS — CID 65130264

IUPAC2-ethylsulfanyl-1-morpholin-4-ylethanimine
SMILES[H]/N=C(\CSCC)N1CCOCC1
InChIInChI=1S/C8H16N2OS/c1-2-12-7-8(9)10-3-5-11-6-4-10/h9H,2-7H2,1H3/b9-8+
InChIKeyCDLWPSWVAAFIKT-CMDGGOBGSA-N
MW188.30 g/mol
LogP1.05
Rot. Bonds3

About 2-ethylsulfanyl-1-morpholin-4-ylethanimine

2-ethylsulfanyl-1-morpholin-4-ylethanimine (PubChem CID 65130264) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-morpholin-4-ylethanimine.

Molecular Properties

Compound Name2-ethylsulfanyl-1-morpholin-4-ylethanimine
PubChem CID65130264
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name2-ethylsulfanyl-1-morpholin-4-ylethanimine
SMILES[H]/N=C(\CSCC)N1CCOCC1
InChIInChI=1S/C8H16N2OS/c1-2-12-7-8(9)10-3-5-11-6-4-10/h9H,2-7H2,1H3/b9-8+
InChIKeyCDLWPSWVAAFIKT-CMDGGOBGSA-N
XLogP1.05
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethylsulfanyl-1-morpholin-4-ylethanimine?
The IUPAC name of 2-ethylsulfanyl-1-morpholin-4-ylethanimine (CID 65130264) is 2-ethylsulfanyl-1-morpholin-4-ylethanimine.
What is the SMILES notation for 2-ethylsulfanyl-1-morpholin-4-ylethanimine?
The canonical SMILES for 2-ethylsulfanyl-1-morpholin-4-ylethanimine is [H]/N=C(\CSCC)N1CCOCC1.
What is the InChIKey of 2-ethylsulfanyl-1-morpholin-4-ylethanimine?
The InChIKey is CDLWPSWVAAFIKT-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-2-12-7-8(9)10-3-5-11-6-4-10/h9H,2-7H2,1H3/b9-8+.
What are the key properties of 2-ethylsulfanyl-1-morpholin-4-ylethanimine?
2-ethylsulfanyl-1-morpholin-4-ylethanimine has a molecular weight of 188.30 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-morpholin-4-ylethanimine is sourced from PubChem (CID 65130264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).