2,6-dimethyl-4-methylsulfonylmorpholine

C7H15NO3S — CID 3113472

IUPAC2,6-dimethyl-4-methylsulfonylmorpholine
SMILESCC1CN(S(C)(=O)=O)CC(C)O1
InChIInChI=1S/C7H15NO3S/c1-6-4-8(12(3,9)10)5-7(2)11-6/h6-7H,4-5H2,1-3H3
InChIKeyYLQFPGWOKBQQJS-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.06
Rot. Bonds1

About 2,6-dimethyl-4-methylsulfonylmorpholine

2,6-dimethyl-4-methylsulfonylmorpholine (PubChem CID 3113472) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2,6-dimethyl-4-methylsulfonylmorpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-methylsulfonylmorpholine
PubChem CID3113472
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name2,6-dimethyl-4-methylsulfonylmorpholine
SMILESCC1CN(S(C)(=O)=O)CC(C)O1
InChIInChI=1S/C7H15NO3S/c1-6-4-8(12(3,9)10)5-7(2)11-6/h6-7H,4-5H2,1-3H3
InChIKeyYLQFPGWOKBQQJS-UHFFFAOYSA-N
XLogP0.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-methylsulfonylmorpholine?
The IUPAC name of 2,6-dimethyl-4-methylsulfonylmorpholine (CID 3113472) is 2,6-dimethyl-4-methylsulfonylmorpholine.
What is the SMILES notation for 2,6-dimethyl-4-methylsulfonylmorpholine?
The canonical SMILES for 2,6-dimethyl-4-methylsulfonylmorpholine is CC1CN(S(C)(=O)=O)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-methylsulfonylmorpholine?
The InChIKey is YLQFPGWOKBQQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-6-4-8(12(3,9)10)5-7(2)11-6/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-methylsulfonylmorpholine?
2,6-dimethyl-4-methylsulfonylmorpholine has a molecular weight of 193.27 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-methylsulfonylmorpholine is sourced from PubChem (CID 3113472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).