2-(oxetan-3-ylsulfanylmethyl)morpholine

C8H15NO2S — CID 79325658

IUPAC2-(oxetan-3-ylsulfanylmethyl)morpholine
SMILESC1COC(CSC2COC2)CN1
InChIInChI=1S/C8H15NO2S/c1-2-11-7(3-9-1)6-12-8-4-10-5-8/h7-9H,1-6H2
InChIKeyFTAQUOVFPAGOMR-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.11
Rot. Bonds3

About 2-(oxetan-3-ylsulfanylmethyl)morpholine

2-(oxetan-3-ylsulfanylmethyl)morpholine (PubChem CID 79325658) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-(oxetan-3-ylsulfanylmethyl)morpholine.

Molecular Properties

Compound Name2-(oxetan-3-ylsulfanylmethyl)morpholine
PubChem CID79325658
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name2-(oxetan-3-ylsulfanylmethyl)morpholine
SMILESC1COC(CSC2COC2)CN1
InChIInChI=1S/C8H15NO2S/c1-2-11-7(3-9-1)6-12-8-4-10-5-8/h7-9H,1-6H2
InChIKeyFTAQUOVFPAGOMR-UHFFFAOYSA-N
XLogP0.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-3-ylsulfanylmethyl)morpholine?
The IUPAC name of 2-(oxetan-3-ylsulfanylmethyl)morpholine (CID 79325658) is 2-(oxetan-3-ylsulfanylmethyl)morpholine.
What is the SMILES notation for 2-(oxetan-3-ylsulfanylmethyl)morpholine?
The canonical SMILES for 2-(oxetan-3-ylsulfanylmethyl)morpholine is C1COC(CSC2COC2)CN1.
What is the InChIKey of 2-(oxetan-3-ylsulfanylmethyl)morpholine?
The InChIKey is FTAQUOVFPAGOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-2-11-7(3-9-1)6-12-8-4-10-5-8/h7-9H,1-6H2.
What are the key properties of 2-(oxetan-3-ylsulfanylmethyl)morpholine?
2-(oxetan-3-ylsulfanylmethyl)morpholine has a molecular weight of 189.28 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-ylsulfanylmethyl)morpholine is sourced from PubChem (CID 79325658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).