2-(4-fluorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone

C12H14FNO2S — CID 110721522

IUPAC2-(4-fluorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCS(=O)CC1
InChIInChI=1S/C12H14FNO2S/c13-11-3-1-10(2-4-11)9-12(15)14-5-7-17(16)8-6-14/h1-4H,5-9H2
InChIKeyMGJCPXHJBSVHSP-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.96
Rot. Bonds2

About 2-(4-fluorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone

2-(4-fluorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone (PubChem CID 110721522) has the molecular formula C12H14FNO2S and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
PubChem CID110721522
Molecular FormulaC12H14FNO2S
Molecular Weight255.31 g/mol
Exact Mass255.07
IUPAC Name2-(4-fluorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCS(=O)CC1
InChIInChI=1S/C12H14FNO2S/c13-11-3-1-10(2-4-11)9-12(15)14-5-7-17(16)8-6-14/h1-4H,5-9H2
InChIKeyMGJCPXHJBSVHSP-UHFFFAOYSA-N
XLogP0.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]benzenesulfonamide
CID 56571751
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
2-(4-methoxyphenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 110721524
N'-hydroxy-4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]benzenecarboximidamide
CID 77001727
1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110365702
1-[4-[2-(4-chlorophenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 110359111
methyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate
CID 110365716
2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868488
2-(4-fluorophenyl)-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]ethanone
CID 108533899
1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 62069201
2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 110365721
1-(4-cyclopentylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 110708885

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone (CID 110721522) is 2-(4-fluorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone is O=C(Cc1ccc(F)cc1)N1CCS(=O)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
The InChIKey is MGJCPXHJBSVHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2S/c13-11-3-1-10(2-4-11)9-12(15)14-5-7-17(16)8-6-14/h1-4H,5-9H2.
What are the key properties of 2-(4-fluorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
2-(4-fluorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone has a molecular weight of 255.31 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone is sourced from PubChem (CID 110721522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).