1-morpholin-4-yl-2-propan-2-ylsulfanylethanimine

C9H18N2OS — CID 65133836

IUPAC1-morpholin-4-yl-2-propan-2-ylsulfanylethanimine
SMILES[H]/N=C(\CSC(C)C)N1CCOCC1
InChIInChI=1S/C9H18N2OS/c1-8(2)13-7-9(10)11-3-5-12-6-4-11/h8,10H,3-7H2,1-2H3/b10-9+
InChIKeyRILORYKQWVNDMD-MDZDMXLPSA-N
MW202.32 g/mol
LogP1.44
Rot. Bonds3

About 1-morpholin-4-yl-2-propan-2-ylsulfanylethanimine

1-morpholin-4-yl-2-propan-2-ylsulfanylethanimine (PubChem CID 65133836) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-propan-2-ylsulfanylethanimine.

Molecular Properties

Compound Name1-morpholin-4-yl-2-propan-2-ylsulfanylethanimine
PubChem CID65133836
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name1-morpholin-4-yl-2-propan-2-ylsulfanylethanimine
SMILES[H]/N=C(\CSC(C)C)N1CCOCC1
InChIInChI=1S/C9H18N2OS/c1-8(2)13-7-9(10)11-3-5-12-6-4-11/h8,10H,3-7H2,1-2H3/b10-9+
InChIKeyRILORYKQWVNDMD-MDZDMXLPSA-N
XLogP1.44
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.44
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 1-morpholin-4-yl-2-propan-2-ylsulfanylethanimine?
The IUPAC name of 1-morpholin-4-yl-2-propan-2-ylsulfanylethanimine (CID 65133836) is 1-morpholin-4-yl-2-propan-2-ylsulfanylethanimine.
What is the SMILES notation for 1-morpholin-4-yl-2-propan-2-ylsulfanylethanimine?
The canonical SMILES for 1-morpholin-4-yl-2-propan-2-ylsulfanylethanimine is [H]/N=C(\CSC(C)C)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-propan-2-ylsulfanylethanimine?
The InChIKey is RILORYKQWVNDMD-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-8(2)13-7-9(10)11-3-5-12-6-4-11/h8,10H,3-7H2,1-2H3/b10-9+.
What are the key properties of 1-morpholin-4-yl-2-propan-2-ylsulfanylethanimine?
1-morpholin-4-yl-2-propan-2-ylsulfanylethanimine has a molecular weight of 202.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-propan-2-ylsulfanylethanimine is sourced from PubChem (CID 65133836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).