5-(2-fluoro-6-methoxyphenyl)-2-methyl-1,4-thiazinane 1,1-dioxide

C12H16FNO3S — CID 113389375

IUPAC5-(2-fluoro-6-methoxyphenyl)-2-methyl-1,4-thiazinane 1,1-dioxide
SMILESCOc1cccc(F)c1C1CS(=O)(=O)C(C)CN1
InChIInChI=1S/C12H16FNO3S/c1-8-6-14-10(7-18(8,15)16)12-9(13)4-3-5-11(12)17-2/h3-5,8,10,14H,6-7H2,1-2H3
InChIKeyXKKMMKJGILTLSV-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.28
Rot. Bonds2

About 5-(2-fluoro-6-methoxyphenyl)-2-methyl-1,4-thiazinane 1,1-dioxide

5-(2-fluoro-6-methoxyphenyl)-2-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 113389375) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-(2-fluoro-6-methoxyphenyl)-2-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name5-(2-fluoro-6-methoxyphenyl)-2-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID113389375
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name5-(2-fluoro-6-methoxyphenyl)-2-methyl-1,4-thiazinane 1,1-dioxide
SMILESCOc1cccc(F)c1C1CS(=O)(=O)C(C)CN1
InChIInChI=1S/C12H16FNO3S/c1-8-6-14-10(7-18(8,15)16)12-9(13)4-3-5-11(12)17-2/h3-5,8,10,14H,6-7H2,1-2H3
InChIKeyXKKMMKJGILTLSV-UHFFFAOYSA-N
XLogP1.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-2-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-2-methyl-1,4-thiazinane 1,1-dioxide (CID 113389375) is 5-(2-fluoro-6-methoxyphenyl)-2-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 5-(2-fluoro-6-methoxyphenyl)-2-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 5-(2-fluoro-6-methoxyphenyl)-2-methyl-1,4-thiazinane 1,1-dioxide is COc1cccc(F)c1C1CS(=O)(=O)C(C)CN1.
What is the InChIKey of 5-(2-fluoro-6-methoxyphenyl)-2-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is XKKMMKJGILTLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-8-6-14-10(7-18(8,15)16)12-9(13)4-3-5-11(12)17-2/h3-5,8,10,14H,6-7H2,1-2H3.
What are the key properties of 5-(2-fluoro-6-methoxyphenyl)-2-methyl-1,4-thiazinane 1,1-dioxide?
5-(2-fluoro-6-methoxyphenyl)-2-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 273.33 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methoxyphenyl)-2-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 113389375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).