2-(2-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one

C17H24N2O2S — CID 74224335

IUPAC2-(2-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one
SMILESCc1ccccc1C1SCCC(=O)N1CCN1CCOCC1
InChIInChI=1S/C17H24N2O2S/c1-14-4-2-3-5-15(14)17-19(16(20)6-13-22-17)8-7-18-9-11-21-12-10-18/h2-5,17H,6-13H2,1H3
InChIKeyPQCRBXRREGIVIO-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.29
Rot. Bonds4

About 2-(2-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one

2-(2-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one (PubChem CID 74224335) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-(2-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one.

Molecular Properties

Compound Name2-(2-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one
PubChem CID74224335
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name2-(2-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one
SMILESCc1ccccc1C1SCCC(=O)N1CCN1CCOCC1
InChIInChI=1S/C17H24N2O2S/c1-14-4-2-3-5-15(14)17-19(16(20)6-13-22-17)8-7-18-9-11-21-12-10-18/h2-5,17H,6-13H2,1H3
InChIKeyPQCRBXRREGIVIO-UHFFFAOYSA-N
XLogP2.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one?
The IUPAC name of 2-(2-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one (CID 74224335) is 2-(2-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one.
What is the SMILES notation for 2-(2-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one?
The canonical SMILES for 2-(2-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one is Cc1ccccc1C1SCCC(=O)N1CCN1CCOCC1.
What is the InChIKey of 2-(2-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one?
The InChIKey is PQCRBXRREGIVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-14-4-2-3-5-15(14)17-19(16(20)6-13-22-17)8-7-18-9-11-21-12-10-18/h2-5,17H,6-13H2,1H3.
What are the key properties of 2-(2-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one?
2-(2-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one has a molecular weight of 320.46 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one is sourced from PubChem (CID 74224335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).