4-ethyl-3-methylthiomorpholine

C7H15NS — CID 89381174

IUPAC4-ethyl-3-methylthiomorpholine
SMILESCCN1CCSCC1C
InChIInChI=1S/C7H15NS/c1-3-8-4-5-9-6-7(8)2/h7H,3-6H2,1-2H3
InChIKeyWYPAWPYZTGGBAD-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.44
Rot. Bonds1

About 4-ethyl-3-methylthiomorpholine

4-ethyl-3-methylthiomorpholine (PubChem CID 89381174) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 4-ethyl-3-methylthiomorpholine.

Molecular Properties

Compound Name4-ethyl-3-methylthiomorpholine
PubChem CID89381174
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name4-ethyl-3-methylthiomorpholine
SMILESCCN1CCSCC1C
InChIInChI=1S/C7H15NS/c1-3-8-4-5-9-6-7(8)2/h7H,3-6H2,1-2H3
InChIKeyWYPAWPYZTGGBAD-UHFFFAOYSA-N
XLogP1.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methylthiomorpholine?
The IUPAC name of 4-ethyl-3-methylthiomorpholine (CID 89381174) is 4-ethyl-3-methylthiomorpholine.
What is the SMILES notation for 4-ethyl-3-methylthiomorpholine?
The canonical SMILES for 4-ethyl-3-methylthiomorpholine is CCN1CCSCC1C.
What is the InChIKey of 4-ethyl-3-methylthiomorpholine?
The InChIKey is WYPAWPYZTGGBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-3-8-4-5-9-6-7(8)2/h7H,3-6H2,1-2H3.
What are the key properties of 4-ethyl-3-methylthiomorpholine?
4-ethyl-3-methylthiomorpholine has a molecular weight of 145.27 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methylthiomorpholine is sourced from PubChem (CID 89381174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).