4-methylsulfonylmorpholine

C5H11NO3S — CID 519344

IUPAC4-methylsulfonylmorpholine
SMILESCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C5H11NO3S/c1-10(7,8)6-2-4-9-5-3-6/h2-5H2,1H3
InChIKeyGVZKQMUSVBGSIZ-UHFFFAOYSA-N
MW165.21 g/mol
LogP-0.72
Rot. Bonds1

About 4-methylsulfonylmorpholine

4-methylsulfonylmorpholine (PubChem CID 519344) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is 4-methylsulfonylmorpholine.

Molecular Properties

Compound Name4-methylsulfonylmorpholine
PubChem CID519344
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name4-methylsulfonylmorpholine
SMILESCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C5H11NO3S/c1-10(7,8)6-2-4-9-5-3-6/h2-5H2,1H3
InChIKeyGVZKQMUSVBGSIZ-UHFFFAOYSA-N
XLogP-0.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonylmorpholine?
The IUPAC name of 4-methylsulfonylmorpholine (CID 519344) is 4-methylsulfonylmorpholine.
What is the SMILES notation for 4-methylsulfonylmorpholine?
The canonical SMILES for 4-methylsulfonylmorpholine is CS(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-methylsulfonylmorpholine?
The InChIKey is GVZKQMUSVBGSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-10(7,8)6-2-4-9-5-3-6/h2-5H2,1H3.
What are the key properties of 4-methylsulfonylmorpholine?
4-methylsulfonylmorpholine has a molecular weight of 165.21 g/mol, XLogP of -0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonylmorpholine is sourced from PubChem (CID 519344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).