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

C11H12FNO4S — CID 79880795

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-(5-fluoro-2-hydroxyphenyl)methanone
SMILESO=C(c1cc(F)ccc1O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H12FNO4S/c12-8-1-2-10(14)9(7-8)11(15)13-3-5-18(16,17)6-4-13/h1-2,7,14H,3-6H2
InChIKeySTAMTECWPQTHCI-UHFFFAOYSA-N
MW273.28 g/mol
LogP0.40
Rot. Bonds1

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

(1,1-dioxo-1,4-thiazinan-4-yl)-(5-fluoro-2-hydroxyphenyl)methanone (PubChem CID 79880795) has the molecular formula C11H12FNO4S and a molecular weight of 273.28 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-(5-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-(5-fluoro-2-hydroxyphenyl)methanone
PubChem CID79880795
Molecular FormulaC11H12FNO4S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-(5-fluoro-2-hydroxyphenyl)methanone
SMILESO=C(c1cc(F)ccc1O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H12FNO4S/c12-8-1-2-10(14)9(7-8)11(15)13-3-5-18(16,17)6-4-13/h1-2,7,14H,3-6H2
InChIKeySTAMTECWPQTHCI-UHFFFAOYSA-N
XLogP0.40
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(5-fluoro-2-hydroxyphenyl)methanone (CID 79880795) is (1,1-dioxo-1,4-thiazinan-4-yl)-(5-fluoro-2-hydroxyphenyl)methanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-(5-fluoro-2-hydroxyphenyl)methanone is O=C(c1cc(F)ccc1O)N1CCS(=O)(=O)CC1.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
The InChIKey is STAMTECWPQTHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4S/c12-8-1-2-10(14)9(7-8)11(15)13-3-5-18(16,17)6-4-13/h1-2,7,14H,3-6H2.
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
(1,1-dioxo-1,4-thiazinan-4-yl)-(5-fluoro-2-hydroxyphenyl)methanone has a molecular weight of 273.28 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,4-thiazinan-4-yl)-(5-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 79880795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).