(5-fluoro-2-hydroxyphenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

C12H14FNO4S — CID 103888798

IUPAC(5-fluoro-2-hydroxyphenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCC1CS(=O)(=O)CCN1C(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H14FNO4S/c1-8-7-19(17,18)5-4-14(8)12(16)10-6-9(13)2-3-11(10)15/h2-3,6,8,15H,4-5,7H2,1H3
InChIKeyDDDGYOPVJAQNHO-UHFFFAOYSA-N
MW287.31 g/mol
LogP0.79
Rot. Bonds1

About (5-fluoro-2-hydroxyphenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

(5-fluoro-2-hydroxyphenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 103888798) has the molecular formula C12H14FNO4S and a molecular weight of 287.31 g/mol. Its IUPAC name is (5-fluoro-2-hydroxyphenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-hydroxyphenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID103888798
Molecular FormulaC12H14FNO4S
Molecular Weight287.31 g/mol
Exact Mass287.06
IUPAC Name(5-fluoro-2-hydroxyphenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCC1CS(=O)(=O)CCN1C(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H14FNO4S/c1-8-7-19(17,18)5-4-14(8)12(16)10-6-9(13)2-3-11(10)15/h2-3,6,8,15H,4-5,7H2,1H3
InChIKeyDDDGYOPVJAQNHO-UHFFFAOYSA-N
XLogP0.79
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-hydroxyphenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (5-fluoro-2-hydroxyphenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 103888798) is (5-fluoro-2-hydroxyphenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (5-fluoro-2-hydroxyphenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (5-fluoro-2-hydroxyphenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone is CC1CS(=O)(=O)CCN1C(=O)c1cc(F)ccc1O.
What is the InChIKey of (5-fluoro-2-hydroxyphenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is DDDGYOPVJAQNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4S/c1-8-7-19(17,18)5-4-14(8)12(16)10-6-9(13)2-3-11(10)15/h2-3,6,8,15H,4-5,7H2,1H3.
What are the key properties of (5-fluoro-2-hydroxyphenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
(5-fluoro-2-hydroxyphenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 287.31 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-hydroxyphenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 103888798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).