3-(methoxymethyl)thiomorpholine

C6H13NOS — CID 23090480

IUPAC3-(methoxymethyl)thiomorpholine
SMILESCOCC1CSCCN1
InChIInChI=1S/C6H13NOS/c1-8-4-6-5-9-3-2-7-6/h6-7H,2-5H2,1H3
InChIKeyPMVNWBQFLUTIHE-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.34
Rot. Bonds2

About 3-(methoxymethyl)thiomorpholine

3-(methoxymethyl)thiomorpholine (PubChem CID 23090480) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 3-(methoxymethyl)thiomorpholine.

Molecular Properties

Compound Name3-(methoxymethyl)thiomorpholine
PubChem CID23090480
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name3-(methoxymethyl)thiomorpholine
SMILESCOCC1CSCCN1
InChIInChI=1S/C6H13NOS/c1-8-4-6-5-9-3-2-7-6/h6-7H,2-5H2,1H3
InChIKeyPMVNWBQFLUTIHE-UHFFFAOYSA-N
XLogP0.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)thiomorpholine?
The IUPAC name of 3-(methoxymethyl)thiomorpholine (CID 23090480) is 3-(methoxymethyl)thiomorpholine.
What is the SMILES notation for 3-(methoxymethyl)thiomorpholine?
The canonical SMILES for 3-(methoxymethyl)thiomorpholine is COCC1CSCCN1.
What is the InChIKey of 3-(methoxymethyl)thiomorpholine?
The InChIKey is PMVNWBQFLUTIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-8-4-6-5-9-3-2-7-6/h6-7H,2-5H2,1H3.
What are the key properties of 3-(methoxymethyl)thiomorpholine?
3-(methoxymethyl)thiomorpholine has a molecular weight of 147.24 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)thiomorpholine is sourced from PubChem (CID 23090480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).