4-ethylsulfonyl-2-[(3-fluorophenyl)methyl]morpholine

C13H18FNO3S — CID 45173217

IUPAC4-ethylsulfonyl-2-[(3-fluorophenyl)methyl]morpholine
SMILESCCS(=O)(=O)N1CCOC(Cc2cccc(F)c2)C1
InChIInChI=1S/C13H18FNO3S/c1-2-19(16,17)15-6-7-18-13(10-15)9-11-4-3-5-12(14)8-11/h3-5,8,13H,2,6-7,9-10H2,1H3
InChIKeyBYIBCUSIVLWBPA-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.42
Rot. Bonds4

About 4-ethylsulfonyl-2-[(3-fluorophenyl)methyl]morpholine

4-ethylsulfonyl-2-[(3-fluorophenyl)methyl]morpholine (PubChem CID 45173217) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-ethylsulfonyl-2-[(3-fluorophenyl)methyl]morpholine.

Molecular Properties

Compound Name4-ethylsulfonyl-2-[(3-fluorophenyl)methyl]morpholine
PubChem CID45173217
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name4-ethylsulfonyl-2-[(3-fluorophenyl)methyl]morpholine
SMILESCCS(=O)(=O)N1CCOC(Cc2cccc(F)c2)C1
InChIInChI=1S/C13H18FNO3S/c1-2-19(16,17)15-6-7-18-13(10-15)9-11-4-3-5-12(14)8-11/h3-5,8,13H,2,6-7,9-10H2,1H3
InChIKeyBYIBCUSIVLWBPA-UHFFFAOYSA-N
XLogP1.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-2-[(3-fluorophenyl)methyl]morpholine?
The IUPAC name of 4-ethylsulfonyl-2-[(3-fluorophenyl)methyl]morpholine (CID 45173217) is 4-ethylsulfonyl-2-[(3-fluorophenyl)methyl]morpholine.
What is the SMILES notation for 4-ethylsulfonyl-2-[(3-fluorophenyl)methyl]morpholine?
The canonical SMILES for 4-ethylsulfonyl-2-[(3-fluorophenyl)methyl]morpholine is CCS(=O)(=O)N1CCOC(Cc2cccc(F)c2)C1.
What is the InChIKey of 4-ethylsulfonyl-2-[(3-fluorophenyl)methyl]morpholine?
The InChIKey is BYIBCUSIVLWBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-2-19(16,17)15-6-7-18-13(10-15)9-11-4-3-5-12(14)8-11/h3-5,8,13H,2,6-7,9-10H2,1H3.
What are the key properties of 4-ethylsulfonyl-2-[(3-fluorophenyl)methyl]morpholine?
4-ethylsulfonyl-2-[(3-fluorophenyl)methyl]morpholine has a molecular weight of 287.36 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-2-[(3-fluorophenyl)methyl]morpholine is sourced from PubChem (CID 45173217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).