3-ethyl-2-methylthiomorpholine

C7H15NS — CID 12517839

IUPAC3-ethyl-2-methylthiomorpholine
SMILESCCC1NCCSC1C
InChIInChI=1S/C7H15NS/c1-3-7-6(2)9-5-4-8-7/h6-8H,3-5H2,1-2H3
InChIKeyCOYIPOMCJIGTBK-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.49
Rot. Bonds1

About 3-ethyl-2-methylthiomorpholine

3-ethyl-2-methylthiomorpholine (PubChem CID 12517839) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 3-ethyl-2-methylthiomorpholine.

Molecular Properties

Compound Name3-ethyl-2-methylthiomorpholine
PubChem CID12517839
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name3-ethyl-2-methylthiomorpholine
SMILESCCC1NCCSC1C
InChIInChI=1S/C7H15NS/c1-3-7-6(2)9-5-4-8-7/h6-8H,3-5H2,1-2H3
InChIKeyCOYIPOMCJIGTBK-UHFFFAOYSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylthiomorpholine?
The IUPAC name of 3-ethyl-2-methylthiomorpholine (CID 12517839) is 3-ethyl-2-methylthiomorpholine.
What is the SMILES notation for 3-ethyl-2-methylthiomorpholine?
The canonical SMILES for 3-ethyl-2-methylthiomorpholine is CCC1NCCSC1C.
What is the InChIKey of 3-ethyl-2-methylthiomorpholine?
The InChIKey is COYIPOMCJIGTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-3-7-6(2)9-5-4-8-7/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-2-methylthiomorpholine?
3-ethyl-2-methylthiomorpholine has a molecular weight of 145.27 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylthiomorpholine is sourced from PubChem (CID 12517839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).