3-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazinan-4-one

C18H23F3N2O2S — CID 3724569

IUPAC3-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazinan-4-one
SMILESO=C1CCSC(c2ccc(C(F)(F)F)cc2)N1CCCN1CCOCC1
InChIInChI=1S/C18H23F3N2O2S/c19-18(20,21)15-4-2-14(3-5-15)17-23(16(24)6-13-26-17)8-1-7-22-9-11-25-12-10-22/h2-5,17H,1,6-13H2
InChIKeyOUPVJSNGKHIGQC-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.39
Rot. Bonds5

About 3-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazinan-4-one

3-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazinan-4-one (PubChem CID 3724569) has the molecular formula C18H23F3N2O2S and a molecular weight of 388.46 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazinan-4-one.

Molecular Properties

Compound Name3-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazinan-4-one
PubChem CID3724569
Molecular FormulaC18H23F3N2O2S
Molecular Weight388.46 g/mol
Exact Mass388.14
IUPAC Name3-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazinan-4-one
SMILESO=C1CCSC(c2ccc(C(F)(F)F)cc2)N1CCCN1CCOCC1
InChIInChI=1S/C18H23F3N2O2S/c19-18(20,21)15-4-2-14(3-5-15)17-23(16(24)6-13-26-17)8-1-7-22-9-11-25-12-10-22/h2-5,17H,1,6-13H2
InChIKeyOUPVJSNGKHIGQC-UHFFFAOYSA-N
XLogP3.39
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazinan-4-one?
The IUPAC name of 3-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazinan-4-one (CID 3724569) is 3-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazinan-4-one.
What is the SMILES notation for 3-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazinan-4-one?
The canonical SMILES for 3-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazinan-4-one is O=C1CCSC(c2ccc(C(F)(F)F)cc2)N1CCCN1CCOCC1.
What is the InChIKey of 3-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazinan-4-one?
The InChIKey is OUPVJSNGKHIGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O2S/c19-18(20,21)15-4-2-14(3-5-15)17-23(16(24)6-13-26-17)8-1-7-22-9-11-25-12-10-22/h2-5,17H,1,6-13H2.
What are the key properties of 3-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazinan-4-one?
3-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazinan-4-one has a molecular weight of 388.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazinan-4-one is sourced from PubChem (CID 3724569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).