4-(2-methylsulfonylethyl)morpholine

C7H15NO3S — CID 22278680

IUPAC4-(2-methylsulfonylethyl)morpholine
SMILESCS(=O)(=O)CCN1CCOCC1
InChIInChI=1S/C7H15NO3S/c1-12(9,10)7-4-8-2-5-11-6-3-8/h2-7H2,1H3
InChIKeyIGBPKVAMMYOPFA-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.64
Rot. Bonds3

About 4-(2-methylsulfonylethyl)morpholine

4-(2-methylsulfonylethyl)morpholine (PubChem CID 22278680) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 4-(2-methylsulfonylethyl)morpholine.

Molecular Properties

Compound Name4-(2-methylsulfonylethyl)morpholine
PubChem CID22278680
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name4-(2-methylsulfonylethyl)morpholine
SMILESCS(=O)(=O)CCN1CCOCC1
InChIInChI=1S/C7H15NO3S/c1-12(9,10)7-4-8-2-5-11-6-3-8/h2-7H2,1H3
InChIKeyIGBPKVAMMYOPFA-UHFFFAOYSA-N
XLogP-0.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonylethyl)morpholine?
The IUPAC name of 4-(2-methylsulfonylethyl)morpholine (CID 22278680) is 4-(2-methylsulfonylethyl)morpholine.
What is the SMILES notation for 4-(2-methylsulfonylethyl)morpholine?
The canonical SMILES for 4-(2-methylsulfonylethyl)morpholine is CS(=O)(=O)CCN1CCOCC1.
What is the InChIKey of 4-(2-methylsulfonylethyl)morpholine?
The InChIKey is IGBPKVAMMYOPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-12(9,10)7-4-8-2-5-11-6-3-8/h2-7H2,1H3.
What are the key properties of 4-(2-methylsulfonylethyl)morpholine?
4-(2-methylsulfonylethyl)morpholine has a molecular weight of 193.27 g/mol, XLogP of -0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfonylethyl)morpholine is sourced from PubChem (CID 22278680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).