2-methylsulfinylmorpholine

C5H11NO2S — CID 23534316

IUPAC2-methylsulfinylmorpholine
SMILESCS(=O)C1CNCCO1
InChIInChI=1S/C5H11NO2S/c1-9(7)5-4-6-2-3-8-5/h5-6H,2-4H2,1H3
InChIKeyMXOLWXAFSVUMKR-UHFFFAOYSA-N
MW149.21 g/mol
LogP-0.69
Rot. Bonds1

About 2-methylsulfinylmorpholine

2-methylsulfinylmorpholine (PubChem CID 23534316) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is 2-methylsulfinylmorpholine.

Molecular Properties

Compound Name2-methylsulfinylmorpholine
PubChem CID23534316
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC Name2-methylsulfinylmorpholine
SMILESCS(=O)C1CNCCO1
InChIInChI=1S/C5H11NO2S/c1-9(7)5-4-6-2-3-8-5/h5-6H,2-4H2,1H3
InChIKeyMXOLWXAFSVUMKR-UHFFFAOYSA-N
XLogP-0.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinylmorpholine?
The IUPAC name of 2-methylsulfinylmorpholine (CID 23534316) is 2-methylsulfinylmorpholine.
What is the SMILES notation for 2-methylsulfinylmorpholine?
The canonical SMILES for 2-methylsulfinylmorpholine is CS(=O)C1CNCCO1.
What is the InChIKey of 2-methylsulfinylmorpholine?
The InChIKey is MXOLWXAFSVUMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-9(7)5-4-6-2-3-8-5/h5-6H,2-4H2,1H3.
What are the key properties of 2-methylsulfinylmorpholine?
2-methylsulfinylmorpholine has a molecular weight of 149.21 g/mol, XLogP of -0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinylmorpholine is sourced from PubChem (CID 23534316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).