2-butan-2-ylsulfanyl-1-morpholin-4-ylethanimine

C10H20N2OS — CID 65141150

IUPAC2-butan-2-ylsulfanyl-1-morpholin-4-ylethanimine
SMILES[H]/N=C(\CSC(C)CC)N1CCOCC1
InChIInChI=1S/C10H20N2OS/c1-3-9(2)14-8-10(11)12-4-6-13-7-5-12/h9,11H,3-8H2,1-2H3/b11-10+
InChIKeyBUKGNBSBYULNQG-ZHACJKMWSA-N
MW216.35 g/mol
LogP1.83
Rot. Bonds4

About 2-butan-2-ylsulfanyl-1-morpholin-4-ylethanimine

2-butan-2-ylsulfanyl-1-morpholin-4-ylethanimine (PubChem CID 65141150) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-1-morpholin-4-ylethanimine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-1-morpholin-4-ylethanimine
PubChem CID65141150
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name2-butan-2-ylsulfanyl-1-morpholin-4-ylethanimine
SMILES[H]/N=C(\CSC(C)CC)N1CCOCC1
InChIInChI=1S/C10H20N2OS/c1-3-9(2)14-8-10(11)12-4-6-13-7-5-12/h9,11H,3-8H2,1-2H3/b11-10+
InChIKeyBUKGNBSBYULNQG-ZHACJKMWSA-N
XLogP1.83
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.83
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-butan-2-ylsulfanyl-1-morpholin-4-ylethanimine?
The IUPAC name of 2-butan-2-ylsulfanyl-1-morpholin-4-ylethanimine (CID 65141150) is 2-butan-2-ylsulfanyl-1-morpholin-4-ylethanimine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-1-morpholin-4-ylethanimine?
The canonical SMILES for 2-butan-2-ylsulfanyl-1-morpholin-4-ylethanimine is [H]/N=C(\CSC(C)CC)N1CCOCC1.
What is the InChIKey of 2-butan-2-ylsulfanyl-1-morpholin-4-ylethanimine?
The InChIKey is BUKGNBSBYULNQG-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-3-9(2)14-8-10(11)12-4-6-13-7-5-12/h9,11H,3-8H2,1-2H3/b11-10+.
What are the key properties of 2-butan-2-ylsulfanyl-1-morpholin-4-ylethanimine?
2-butan-2-ylsulfanyl-1-morpholin-4-ylethanimine has a molecular weight of 216.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-1-morpholin-4-ylethanimine is sourced from PubChem (CID 65141150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).