3-(2,6-difluorophenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide

C12H15F2NO2S — CID 66229602

IUPAC3-(2,6-difluorophenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide
SMILESCCC1CS(=O)(=O)CC(c2c(F)cccc2F)N1
InChIInChI=1S/C12H15F2NO2S/c1-2-8-6-18(16,17)7-11(15-8)12-9(13)4-3-5-10(12)14/h3-5,8,11,15H,2,6-7H2,1H3
InChIKeyMPIDAWYGUOYXRM-UHFFFAOYSA-N
MW275.32 g/mol
LogP1.80
Rot. Bonds2

About 3-(2,6-difluorophenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide

3-(2,6-difluorophenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide (PubChem CID 66229602) has the molecular formula C12H15F2NO2S and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide
PubChem CID66229602
Molecular FormulaC12H15F2NO2S
Molecular Weight275.32 g/mol
Exact Mass275.08
IUPAC Name3-(2,6-difluorophenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide
SMILESCCC1CS(=O)(=O)CC(c2c(F)cccc2F)N1
InChIInChI=1S/C12H15F2NO2S/c1-2-8-6-18(16,17)7-11(15-8)12-9(13)4-3-5-10(12)14/h3-5,8,11,15H,2,6-7H2,1H3
InChIKeyMPIDAWYGUOYXRM-UHFFFAOYSA-N
XLogP1.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-(2,6-difluorophenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide (CID 66229602) is 3-(2,6-difluorophenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-(2,6-difluorophenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-(2,6-difluorophenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide is CCC1CS(=O)(=O)CC(c2c(F)cccc2F)N1.
What is the InChIKey of 3-(2,6-difluorophenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is MPIDAWYGUOYXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2S/c1-2-8-6-18(16,17)7-11(15-8)12-9(13)4-3-5-10(12)14/h3-5,8,11,15H,2,6-7H2,1H3.
What are the key properties of 3-(2,6-difluorophenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide?
3-(2,6-difluorophenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 275.32 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 66229602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).