4-[(E)-2-phenylethenyl]sulfonylmorpholine

C12H15NO3S — CID 1144752

IUPAC4-[(E)-2-phenylethenyl]sulfonylmorpholine
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCOCC1
InChIInChI=1S/C12H15NO3S/c14-17(15,13-7-9-16-10-8-13)11-6-12-4-2-1-3-5-12/h1-6,11H,7-10H2/b11-6+
InChIKeyRDTYOSMNVSOCAV-IZZDOVSWSA-N
MW253.32 g/mol
LogP1.32
Rot. Bonds3

About 4-[(E)-2-phenylethenyl]sulfonylmorpholine

4-[(E)-2-phenylethenyl]sulfonylmorpholine (PubChem CID 1144752) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-[(E)-2-phenylethenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[(E)-2-phenylethenyl]sulfonylmorpholine
PubChem CID1144752
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name4-[(E)-2-phenylethenyl]sulfonylmorpholine
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCOCC1
InChIInChI=1S/C12H15NO3S/c14-17(15,13-7-9-16-10-8-13)11-6-12-4-2-1-3-5-12/h1-6,11H,7-10H2/b11-6+
InChIKeyRDTYOSMNVSOCAV-IZZDOVSWSA-N
XLogP1.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-phenylethenyl]sulfonylmorpholine?
The IUPAC name of 4-[(E)-2-phenylethenyl]sulfonylmorpholine (CID 1144752) is 4-[(E)-2-phenylethenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[(E)-2-phenylethenyl]sulfonylmorpholine?
The canonical SMILES for 4-[(E)-2-phenylethenyl]sulfonylmorpholine is O=S(=O)(/C=C/c1ccccc1)N1CCOCC1.
What is the InChIKey of 4-[(E)-2-phenylethenyl]sulfonylmorpholine?
The InChIKey is RDTYOSMNVSOCAV-IZZDOVSWSA-N. The full InChI is InChI=1S/C12H15NO3S/c14-17(15,13-7-9-16-10-8-13)11-6-12-4-2-1-3-5-12/h1-6,11H,7-10H2/b11-6+.
What are the key properties of 4-[(E)-2-phenylethenyl]sulfonylmorpholine?
4-[(E)-2-phenylethenyl]sulfonylmorpholine has a molecular weight of 253.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-phenylethenyl]sulfonylmorpholine is sourced from PubChem (CID 1144752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).