3-(1-methoxyethyl)thiomorpholine

C7H15NOS — CID 23090278

IUPAC3-(1-methoxyethyl)thiomorpholine
SMILESCOC(C)C1CSCCN1
InChIInChI=1S/C7H15NOS/c1-6(9-2)7-5-10-4-3-8-7/h6-8H,3-5H2,1-2H3
InChIKeyKTNMLTBITHBYBR-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.73
Rot. Bonds2

About 3-(1-methoxyethyl)thiomorpholine

3-(1-methoxyethyl)thiomorpholine (PubChem CID 23090278) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 3-(1-methoxyethyl)thiomorpholine.

Molecular Properties

Compound Name3-(1-methoxyethyl)thiomorpholine
PubChem CID23090278
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name3-(1-methoxyethyl)thiomorpholine
SMILESCOC(C)C1CSCCN1
InChIInChI=1S/C7H15NOS/c1-6(9-2)7-5-10-4-3-8-7/h6-8H,3-5H2,1-2H3
InChIKeyKTNMLTBITHBYBR-UHFFFAOYSA-N
XLogP0.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxyethyl)thiomorpholine?
The IUPAC name of 3-(1-methoxyethyl)thiomorpholine (CID 23090278) is 3-(1-methoxyethyl)thiomorpholine.
What is the SMILES notation for 3-(1-methoxyethyl)thiomorpholine?
The canonical SMILES for 3-(1-methoxyethyl)thiomorpholine is COC(C)C1CSCCN1.
What is the InChIKey of 3-(1-methoxyethyl)thiomorpholine?
The InChIKey is KTNMLTBITHBYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-6(9-2)7-5-10-4-3-8-7/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-(1-methoxyethyl)thiomorpholine?
3-(1-methoxyethyl)thiomorpholine has a molecular weight of 161.27 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxyethyl)thiomorpholine is sourced from PubChem (CID 23090278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).