4-methylsulfinylmorpholine

C5H11NO2S — CID 12691777

IUPAC4-methylsulfinylmorpholine
SMILESCS(=O)N1CCOCC1
InChIInChI=1S/C5H11NO2S/c1-9(7)6-2-4-8-5-3-6/h2-5H2,1H3
InChIKeyZIQIFDSZEUXLFJ-UHFFFAOYSA-N
MW149.22 g/mol
LogP-0.39
Rot. Bonds1

About 4-methylsulfinylmorpholine

4-methylsulfinylmorpholine (PubChem CID 12691777) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is 4-methylsulfinylmorpholine.

Molecular Properties

Compound Name4-methylsulfinylmorpholine
PubChem CID12691777
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name4-methylsulfinylmorpholine
SMILESCS(=O)N1CCOCC1
InChIInChI=1S/C5H11NO2S/c1-9(7)6-2-4-8-5-3-6/h2-5H2,1H3
InChIKeyZIQIFDSZEUXLFJ-UHFFFAOYSA-N
XLogP-0.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfinylmorpholine?
The IUPAC name of 4-methylsulfinylmorpholine (CID 12691777) is 4-methylsulfinylmorpholine.
What is the SMILES notation for 4-methylsulfinylmorpholine?
The canonical SMILES for 4-methylsulfinylmorpholine is CS(=O)N1CCOCC1.
What is the InChIKey of 4-methylsulfinylmorpholine?
The InChIKey is ZIQIFDSZEUXLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-9(7)6-2-4-8-5-3-6/h2-5H2,1H3.
What are the key properties of 4-methylsulfinylmorpholine?
4-methylsulfinylmorpholine has a molecular weight of 149.22 g/mol, XLogP of -0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfinylmorpholine is sourced from PubChem (CID 12691777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).