1-(2,6-dimethylmorpholin-4-yl)-2-phenyl-2-phenylsulfanylethanone

C20H23NO2S — CID 2904745

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-phenyl-2-phenylsulfanylethanone
SMILESCC1CN(C(=O)C(Sc2ccccc2)c2ccccc2)CC(C)O1
InChIInChI=1S/C20H23NO2S/c1-15-13-21(14-16(2)23-15)20(22)19(17-9-5-3-6-10-17)24-18-11-7-4-8-12-18/h3-12,15-16,19H,13-14H2,1-2H3
InChIKeyXBQQSKDHKLLHLN-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.16
Rot. Bonds4

About 1-(2,6-dimethylmorpholin-4-yl)-2-phenyl-2-phenylsulfanylethanone

1-(2,6-dimethylmorpholin-4-yl)-2-phenyl-2-phenylsulfanylethanone (PubChem CID 2904745) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-phenyl-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-phenyl-2-phenylsulfanylethanone
PubChem CID2904745
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-phenyl-2-phenylsulfanylethanone
SMILESCC1CN(C(=O)C(Sc2ccccc2)c2ccccc2)CC(C)O1
InChIInChI=1S/C20H23NO2S/c1-15-13-21(14-16(2)23-15)20(22)19(17-9-5-3-6-10-17)24-18-11-7-4-8-12-18/h3-12,15-16,19H,13-14H2,1-2H3
InChIKeyXBQQSKDHKLLHLN-UHFFFAOYSA-N
XLogP4.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-phenyl-2-phenylsulfanylethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-phenyl-2-phenylsulfanylethanone (CID 2904745) is 1-(2,6-dimethylmorpholin-4-yl)-2-phenyl-2-phenylsulfanylethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-phenyl-2-phenylsulfanylethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-phenyl-2-phenylsulfanylethanone is CC1CN(C(=O)C(Sc2ccccc2)c2ccccc2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-phenyl-2-phenylsulfanylethanone?
The InChIKey is XBQQSKDHKLLHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-15-13-21(14-16(2)23-15)20(22)19(17-9-5-3-6-10-17)24-18-11-7-4-8-12-18/h3-12,15-16,19H,13-14H2,1-2H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-phenyl-2-phenylsulfanylethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-phenyl-2-phenylsulfanylethanone has a molecular weight of 341.48 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-phenyl-2-phenylsulfanylethanone is sourced from PubChem (CID 2904745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).