2-cyclopentylsulfanyl-1-morpholin-4-ylethanimine

C11H20N2OS — CID 65140753

IUPAC2-cyclopentylsulfanyl-1-morpholin-4-ylethanimine
SMILES[H]/N=C(\CSC1CCCC1)N1CCOCC1
InChIInChI=1S/C11H20N2OS/c12-11(13-5-7-14-8-6-13)9-15-10-3-1-2-4-10/h10,12H,1-9H2/b12-11+
InChIKeySNJSBHVRGSOENQ-VAWYXSNFSA-N
MW228.36 g/mol
LogP1.97
Rot. Bonds3

About 2-cyclopentylsulfanyl-1-morpholin-4-ylethanimine

2-cyclopentylsulfanyl-1-morpholin-4-ylethanimine (PubChem CID 65140753) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-morpholin-4-ylethanimine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-morpholin-4-ylethanimine
PubChem CID65140753
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-cyclopentylsulfanyl-1-morpholin-4-ylethanimine
SMILES[H]/N=C(\CSC1CCCC1)N1CCOCC1
InChIInChI=1S/C11H20N2OS/c12-11(13-5-7-14-8-6-13)9-15-10-3-1-2-4-10/h10,12H,1-9H2/b12-11+
InChIKeySNJSBHVRGSOENQ-VAWYXSNFSA-N
XLogP1.97
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.97
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-cyclopentylsulfanyl-1-morpholin-4-ylethanimine?
The IUPAC name of 2-cyclopentylsulfanyl-1-morpholin-4-ylethanimine (CID 65140753) is 2-cyclopentylsulfanyl-1-morpholin-4-ylethanimine.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-morpholin-4-ylethanimine?
The canonical SMILES for 2-cyclopentylsulfanyl-1-morpholin-4-ylethanimine is [H]/N=C(\CSC1CCCC1)N1CCOCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-morpholin-4-ylethanimine?
The InChIKey is SNJSBHVRGSOENQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H20N2OS/c12-11(13-5-7-14-8-6-13)9-15-10-3-1-2-4-10/h10,12H,1-9H2/b12-11+.
What are the key properties of 2-cyclopentylsulfanyl-1-morpholin-4-ylethanimine?
2-cyclopentylsulfanyl-1-morpholin-4-ylethanimine has a molecular weight of 228.36 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-morpholin-4-ylethanimine is sourced from PubChem (CID 65140753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).