2-(1-benzofuran-2-yl)-3-(2-methylpropyl)-1,3-thiazinan-4-one

C16H19NO2S — CID 3281882

IUPAC2-(1-benzofuran-2-yl)-3-(2-methylpropyl)-1,3-thiazinan-4-one
SMILESCC(C)CN1C(=O)CCSC1c1cc2ccccc2o1
InChIInChI=1S/C16H19NO2S/c1-11(2)10-17-15(18)7-8-20-16(17)14-9-12-5-3-4-6-13(12)19-14/h3-6,9,11,16H,7-8,10H2,1-2H3
InChIKeyAOLUJMJLCLWQGY-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.05
Rot. Bonds3

About 2-(1-benzofuran-2-yl)-3-(2-methylpropyl)-1,3-thiazinan-4-one

2-(1-benzofuran-2-yl)-3-(2-methylpropyl)-1,3-thiazinan-4-one (PubChem CID 3281882) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-3-(2-methylpropyl)-1,3-thiazinan-4-one.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-3-(2-methylpropyl)-1,3-thiazinan-4-one
PubChem CID3281882
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-(1-benzofuran-2-yl)-3-(2-methylpropyl)-1,3-thiazinan-4-one
SMILESCC(C)CN1C(=O)CCSC1c1cc2ccccc2o1
InChIInChI=1S/C16H19NO2S/c1-11(2)10-17-15(18)7-8-20-16(17)14-9-12-5-3-4-6-13(12)19-14/h3-6,9,11,16H,7-8,10H2,1-2H3
InChIKeyAOLUJMJLCLWQGY-UHFFFAOYSA-N
XLogP4.05
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzofuran-2-yl)-3-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazinan-4-one
CID 3855421
2-(1-benzofuran-2-yl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazinan-4-one
CID 3537745
2-(1-benzofuran-2-yl)-3-butyl-1,3-thiazolidin-4-one
CID 3614492
2-(1,3-benzodioxol-4-yl)-3-(2-methylpropyl)-1,3-thiazinan-4-one
CID 5192207
2-(5-chloro-2-hydroxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one
CID 3565937
2-(1-benzofuran-2-yl)-3-(6-methoxy-3-pyridinyl)-1,3-thiazolidin-4-one
CID 4987872
2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one
CID 3730595
2-(1-benzofuran-2-yl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one
CID 3702133
2-cyclopropyl-1-benzofuran
CID 12528043
4-(1-benzofuran-2-yl)-1-propan-2-ylpiperidine;hydrochloride
CID 23312202
4-(1-benzofuran-2-yl)-1-ethylpiperidine
CID 23312291
2-(1-benzofuran-2-yl)-1,3-thiazolidine
CID 63898466

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-3-(2-methylpropyl)-1,3-thiazinan-4-one?
The IUPAC name of 2-(1-benzofuran-2-yl)-3-(2-methylpropyl)-1,3-thiazinan-4-one (CID 3281882) is 2-(1-benzofuran-2-yl)-3-(2-methylpropyl)-1,3-thiazinan-4-one.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-3-(2-methylpropyl)-1,3-thiazinan-4-one?
The canonical SMILES for 2-(1-benzofuran-2-yl)-3-(2-methylpropyl)-1,3-thiazinan-4-one is CC(C)CN1C(=O)CCSC1c1cc2ccccc2o1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-3-(2-methylpropyl)-1,3-thiazinan-4-one?
The InChIKey is AOLUJMJLCLWQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-11(2)10-17-15(18)7-8-20-16(17)14-9-12-5-3-4-6-13(12)19-14/h3-6,9,11,16H,7-8,10H2,1-2H3.
What are the key properties of 2-(1-benzofuran-2-yl)-3-(2-methylpropyl)-1,3-thiazinan-4-one?
2-(1-benzofuran-2-yl)-3-(2-methylpropyl)-1,3-thiazinan-4-one has a molecular weight of 289.40 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-3-(2-methylpropyl)-1,3-thiazinan-4-one is sourced from PubChem (CID 3281882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).