2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one

C16H23NO3S — CID 3730595

IUPAC2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one
SMILESCCOc1cc(C2SCCC(=O)N2CC(C)C)ccc1O
InChIInChI=1S/C16H23NO3S/c1-4-20-14-9-12(5-6-13(14)18)16-17(10-11(2)3)15(19)7-8-21-16/h5-6,9,11,16,18H,4,7-8,10H2,1-3H3
InChIKeyMJIIKHSFDIIWSQ-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.41
Rot. Bonds5

About 2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one

2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one (PubChem CID 3730595) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one.

Molecular Properties

Compound Name2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one
PubChem CID3730595
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one
SMILESCCOc1cc(C2SCCC(=O)N2CC(C)C)ccc1O
InChIInChI=1S/C16H23NO3S/c1-4-20-14-9-12(5-6-13(14)18)16-17(10-11(2)3)15(19)7-8-21-16/h5-6,9,11,16,18H,4,7-8,10H2,1-3H3
InChIKeyMJIIKHSFDIIWSQ-UHFFFAOYSA-N
XLogP3.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one
CID 4236849
3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazinan-4-one
CID 3701374
2-(5-chloro-2-hydroxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one
CID 3565937
3-butyl-2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazinan-4-one
CID 3727519
2-(3-ethoxy-4-methoxyphenyl)-3-(2-methoxyethyl)-1,3-thiazinan-4-one
CID 3600311
2-(1-benzofuran-2-yl)-3-(2-methylpropyl)-1,3-thiazinan-4-one
CID 3281882
2-(3-ethoxy-4-hydroxyphenyl)-3-(10-hydroxy-10-oxo-5H-phenophosphazinin-2-yl)-1,3-thiazolidin-4-one
CID 24878802
2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(3-propan-2-yloxypropyl)-1,3-thiazinan-4-one
CID 3717364
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 130067438
4-(3-ethoxy-4-hydroxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 23968011
4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-(2-methylpropyl)pyrrolidin-2-one
CID 82193088
5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one
CID 79962136

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one?
The IUPAC name of 2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one (CID 3730595) is 2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one.
What is the SMILES notation for 2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one?
The canonical SMILES for 2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one is CCOc1cc(C2SCCC(=O)N2CC(C)C)ccc1O.
What is the InChIKey of 2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one?
The InChIKey is MJIIKHSFDIIWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-4-20-14-9-12(5-6-13(14)18)16-17(10-11(2)3)15(19)7-8-21-16/h5-6,9,11,16,18H,4,7-8,10H2,1-3H3.
What are the key properties of 2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one?
2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one has a molecular weight of 309.43 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one is sourced from PubChem (CID 3730595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).