3,4-diethylthiomorpholine

C8H17NS — CID 89381146

IUPAC3,4-diethylthiomorpholine
SMILESCCC1CSCCN1CC
InChIInChI=1S/C8H17NS/c1-3-8-7-10-6-5-9(8)4-2/h8H,3-7H2,1-2H3
InChIKeyHQZQYAJHEHHFLL-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.83
Rot. Bonds2

About 3,4-diethylthiomorpholine

3,4-diethylthiomorpholine (PubChem CID 89381146) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 3,4-diethylthiomorpholine.

Molecular Properties

Compound Name3,4-diethylthiomorpholine
PubChem CID89381146
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name3,4-diethylthiomorpholine
SMILESCCC1CSCCN1CC
InChIInChI=1S/C8H17NS/c1-3-8-7-10-6-5-9(8)4-2/h8H,3-7H2,1-2H3
InChIKeyHQZQYAJHEHHFLL-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethylthiomorpholine?
The IUPAC name of 3,4-diethylthiomorpholine (CID 89381146) is 3,4-diethylthiomorpholine.
What is the SMILES notation for 3,4-diethylthiomorpholine?
The canonical SMILES for 3,4-diethylthiomorpholine is CCC1CSCCN1CC.
What is the InChIKey of 3,4-diethylthiomorpholine?
The InChIKey is HQZQYAJHEHHFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-3-8-7-10-6-5-9(8)4-2/h8H,3-7H2,1-2H3.
What are the key properties of 3,4-diethylthiomorpholine?
3,4-diethylthiomorpholine has a molecular weight of 159.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethylthiomorpholine is sourced from PubChem (CID 89381146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).