2-(4,5-dimethylfuran-2-yl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one

C16H24N2O3S — CID 3361757

IUPAC2-(4,5-dimethylfuran-2-yl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one
SMILESCc1cc(C2SCCC(=O)N2CCN2CCOCC2)oc1C
InChIInChI=1S/C16H24N2O3S/c1-12-11-14(21-13(12)2)16-18(15(19)3-10-22-16)5-4-17-6-8-20-9-7-17/h11,16H,3-10H2,1-2H3
InChIKeyJNWXBBBKCSEOHJ-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.19
Rot. Bonds4

About 2-(4,5-dimethylfuran-2-yl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one

2-(4,5-dimethylfuran-2-yl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one (PubChem CID 3361757) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-(4,5-dimethylfuran-2-yl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one.

Molecular Properties

Compound Name2-(4,5-dimethylfuran-2-yl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one
PubChem CID3361757
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name2-(4,5-dimethylfuran-2-yl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one
SMILESCc1cc(C2SCCC(=O)N2CCN2CCOCC2)oc1C
InChIInChI=1S/C16H24N2O3S/c1-12-11-14(21-13(12)2)16-18(15(19)3-10-22-16)5-4-17-6-8-20-9-7-17/h11,16H,3-10H2,1-2H3
InChIKeyJNWXBBBKCSEOHJ-UHFFFAOYSA-N
XLogP2.19
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylfuran-2-yl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one?
The IUPAC name of 2-(4,5-dimethylfuran-2-yl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one (CID 3361757) is 2-(4,5-dimethylfuran-2-yl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one.
What is the SMILES notation for 2-(4,5-dimethylfuran-2-yl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one?
The canonical SMILES for 2-(4,5-dimethylfuran-2-yl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one is Cc1cc(C2SCCC(=O)N2CCN2CCOCC2)oc1C.
What is the InChIKey of 2-(4,5-dimethylfuran-2-yl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one?
The InChIKey is JNWXBBBKCSEOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12-11-14(21-13(12)2)16-18(15(19)3-10-22-16)5-4-17-6-8-20-9-7-17/h11,16H,3-10H2,1-2H3.
What are the key properties of 2-(4,5-dimethylfuran-2-yl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one?
2-(4,5-dimethylfuran-2-yl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one has a molecular weight of 324.45 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylfuran-2-yl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one is sourced from PubChem (CID 3361757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).