1-morpholin-4-yl-2-phenyl-2-phenylsulfanylethanone

C18H19NO2S — CID 2886349

IUPAC1-morpholin-4-yl-2-phenyl-2-phenylsulfanylethanone
SMILESO=C(C(Sc1ccccc1)c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H19NO2S/c20-18(19-11-13-21-14-12-19)17(15-7-3-1-4-8-15)22-16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKeyCVZDJEMYENSUAV-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.38
Rot. Bonds4

About 1-morpholin-4-yl-2-phenyl-2-phenylsulfanylethanone

1-morpholin-4-yl-2-phenyl-2-phenylsulfanylethanone (PubChem CID 2886349) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-phenyl-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-phenyl-2-phenylsulfanylethanone
PubChem CID2886349
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name1-morpholin-4-yl-2-phenyl-2-phenylsulfanylethanone
SMILESO=C(C(Sc1ccccc1)c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H19NO2S/c20-18(19-11-13-21-14-12-19)17(15-7-3-1-4-8-15)22-16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKeyCVZDJEMYENSUAV-UHFFFAOYSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-phenyl-2-phenylsulfanylethanone?
The IUPAC name of 1-morpholin-4-yl-2-phenyl-2-phenylsulfanylethanone (CID 2886349) is 1-morpholin-4-yl-2-phenyl-2-phenylsulfanylethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-phenyl-2-phenylsulfanylethanone?
The canonical SMILES for 1-morpholin-4-yl-2-phenyl-2-phenylsulfanylethanone is O=C(C(Sc1ccccc1)c1ccccc1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-phenyl-2-phenylsulfanylethanone?
The InChIKey is CVZDJEMYENSUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c20-18(19-11-13-21-14-12-19)17(15-7-3-1-4-8-15)22-16-9-5-2-6-10-16/h1-10,17H,11-14H2.
What are the key properties of 1-morpholin-4-yl-2-phenyl-2-phenylsulfanylethanone?
1-morpholin-4-yl-2-phenyl-2-phenylsulfanylethanone has a molecular weight of 313.42 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-phenyl-2-phenylsulfanylethanone is sourced from PubChem (CID 2886349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).