4-[2-(benzenesulfonyl)ethyl]morpholine

C12H17NO3S — CID 2818767

IUPAC4-[2-(benzenesulfonyl)ethyl]morpholine
SMILESO=S(=O)(CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C12H17NO3S/c14-17(15,12-4-2-1-3-5-12)11-8-13-6-9-16-10-7-13/h1-5H,6-11H2
InChIKeyXIYKEJPGXJLYIJ-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.79
Rot. Bonds4

About 4-[2-(benzenesulfonyl)ethyl]morpholine

4-[2-(benzenesulfonyl)ethyl]morpholine (PubChem CID 2818767) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-[2-(benzenesulfonyl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(benzenesulfonyl)ethyl]morpholine
PubChem CID2818767
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name4-[2-(benzenesulfonyl)ethyl]morpholine
SMILESO=S(=O)(CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C12H17NO3S/c14-17(15,12-4-2-1-3-5-12)11-8-13-6-9-16-10-7-13/h1-5H,6-11H2
InChIKeyXIYKEJPGXJLYIJ-UHFFFAOYSA-N
XLogP0.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzenesulfonyl)ethyl]morpholine?
The IUPAC name of 4-[2-(benzenesulfonyl)ethyl]morpholine (CID 2818767) is 4-[2-(benzenesulfonyl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(benzenesulfonyl)ethyl]morpholine?
The canonical SMILES for 4-[2-(benzenesulfonyl)ethyl]morpholine is O=S(=O)(CCN1CCOCC1)c1ccccc1.
What is the InChIKey of 4-[2-(benzenesulfonyl)ethyl]morpholine?
The InChIKey is XIYKEJPGXJLYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c14-17(15,12-4-2-1-3-5-12)11-8-13-6-9-16-10-7-13/h1-5H,6-11H2.
What are the key properties of 4-[2-(benzenesulfonyl)ethyl]morpholine?
4-[2-(benzenesulfonyl)ethyl]morpholine has a molecular weight of 255.34 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzenesulfonyl)ethyl]morpholine is sourced from PubChem (CID 2818767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).