2-ethyl-4-methylsulfonylmorpholine

C7H15NO3S — CID 60745031

IUPAC2-ethyl-4-methylsulfonylmorpholine
SMILESCCC1CN(S(C)(=O)=O)CCO1
InChIInChI=1S/C7H15NO3S/c1-3-7-6-8(4-5-11-7)12(2,9)10/h7H,3-6H2,1-2H3
InChIKeyDWRZOGATTNOKQO-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.06
Rot. Bonds2

About 2-ethyl-4-methylsulfonylmorpholine

2-ethyl-4-methylsulfonylmorpholine (PubChem CID 60745031) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-ethyl-4-methylsulfonylmorpholine.

Molecular Properties

Compound Name2-ethyl-4-methylsulfonylmorpholine
PubChem CID60745031
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name2-ethyl-4-methylsulfonylmorpholine
SMILESCCC1CN(S(C)(=O)=O)CCO1
InChIInChI=1S/C7H15NO3S/c1-3-7-6-8(4-5-11-7)12(2,9)10/h7H,3-6H2,1-2H3
InChIKeyDWRZOGATTNOKQO-UHFFFAOYSA-N
XLogP0.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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

Analyze 2-ethyl-4-methylsulfonylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methylsulfonylmorpholine?
The IUPAC name of 2-ethyl-4-methylsulfonylmorpholine (CID 60745031) is 2-ethyl-4-methylsulfonylmorpholine.
What is the SMILES notation for 2-ethyl-4-methylsulfonylmorpholine?
The canonical SMILES for 2-ethyl-4-methylsulfonylmorpholine is CCC1CN(S(C)(=O)=O)CCO1.
What is the InChIKey of 2-ethyl-4-methylsulfonylmorpholine?
The InChIKey is DWRZOGATTNOKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-3-7-6-8(4-5-11-7)12(2,9)10/h7H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-4-methylsulfonylmorpholine?
2-ethyl-4-methylsulfonylmorpholine has a molecular weight of 193.27 g/mol, XLogP of 0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methylsulfonylmorpholine is sourced from PubChem (CID 60745031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).