3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,4-thiazinane 1,1-dioxide

C13H18FNO3S — CID 66231238

IUPAC3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,4-thiazinane 1,1-dioxide
SMILESCCC1CS(=O)(=O)CC(c2ccc(OC)c(F)c2)N1
InChIInChI=1S/C13H18FNO3S/c1-3-10-7-19(16,17)8-12(15-10)9-4-5-13(18-2)11(14)6-9/h4-6,10,12,15H,3,7-8H2,1-2H3
InChIKeyILRLYBIMRORMQV-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.67
Rot. Bonds3

About 3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,4-thiazinane 1,1-dioxide

3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 66231238) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,4-thiazinane 1,1-dioxide
PubChem CID66231238
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,4-thiazinane 1,1-dioxide
SMILESCCC1CS(=O)(=O)CC(c2ccc(OC)c(F)c2)N1
InChIInChI=1S/C13H18FNO3S/c1-3-10-7-19(16,17)8-12(15-10)9-4-5-13(18-2)11(14)6-9/h4-6,10,12,15H,3,7-8H2,1-2H3
InChIKeyILRLYBIMRORMQV-UHFFFAOYSA-N
XLogP1.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-difluorophenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide
CID 66229602
methyl 5-(3,4-difluorophenyl)-1,1-dioxo-1,4-thiazinane-3-carboxylate
CID 65171391
5-(3-fluoro-4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 112693405
2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)cyclobutan-1-one
CID 81415947
3-ethyl-5-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide
CID 66230082
7-ethyl-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole
CID 3404384
3-(3-fluoro-4-methoxyphenyl)azetidine
CID 82280860
1-(1,1-dioxothiolan-3-yl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 105085993
3-(3-fluoro-4-methoxyphenyl)-5-methyl-1,4-thiazepane 1-oxide
CID 66232634
2-[4-(3-fluoro-4-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116980141
4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene
CID 165178047
2-(3-fluoro-4-methoxyphenyl)-3-pentan-3-ylimidazolidin-4-one
CID 83242836

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,4-thiazinane 1,1-dioxide (CID 66231238) is 3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,4-thiazinane 1,1-dioxide is CCC1CS(=O)(=O)CC(c2ccc(OC)c(F)c2)N1.
What is the InChIKey of 3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is ILRLYBIMRORMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-3-10-7-19(16,17)8-12(15-10)9-4-5-13(18-2)11(14)6-9/h4-6,10,12,15H,3,7-8H2,1-2H3.
What are the key properties of 3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,4-thiazinane 1,1-dioxide?
3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 287.36 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 66231238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).