1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]ethanone

C12H14FNO3S — CID 43581566

IUPAC1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C12H14FNO3S/c1-9(15)11-8-10(13)2-3-12(11)14-4-6-18(16,17)7-5-14/h2-3,8H,4-7H2,1H3
InChIKeyCXDVYMHJRPCKRP-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.26
Rot. Bonds2

About 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]ethanone

1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]ethanone (PubChem CID 43581566) has the molecular formula C12H14FNO3S and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]ethanone
PubChem CID43581566
Molecular FormulaC12H14FNO3S
Molecular Weight271.31 g/mol
Exact Mass271.07
IUPAC Name1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C12H14FNO3S/c1-9(15)11-8-10(13)2-3-12(11)14-4-6-18(16,17)7-5-14/h2-3,8H,4-7H2,1H3
InChIKeyCXDVYMHJRPCKRP-UHFFFAOYSA-N
XLogP1.26
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]ethanone?
The IUPAC name of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]ethanone (CID 43581566) is 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]ethanone is CC(=O)c1cc(F)ccc1N1CCS(=O)(=O)CC1.
What is the InChIKey of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]ethanone?
The InChIKey is CXDVYMHJRPCKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3S/c1-9(15)11-8-10(13)2-3-12(11)14-4-6-18(16,17)7-5-14/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]ethanone?
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]ethanone has a molecular weight of 271.31 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]ethanone is sourced from PubChem (CID 43581566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).