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

C13H12FNO3S2 — CID 84583540

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc2c(F)cccc2s1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H12FNO3S2/c14-10-2-1-3-11-9(10)8-12(19-11)13(16)15-4-6-20(17,18)7-5-15/h1-3,8H,4-7H2
InChIKeyZQEJSFBKRIZJFG-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.91
Rot. Bonds1

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

(1,1-dioxo-1,4-thiazinan-4-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone (PubChem CID 84583540) has the molecular formula C13H12FNO3S2 and a molecular weight of 313.38 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone
PubChem CID84583540
Molecular FormulaC13H12FNO3S2
Molecular Weight313.38 g/mol
Exact Mass313.02
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc2c(F)cccc2s1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H12FNO3S2/c14-10-2-1-3-11-9(10)8-12(19-11)13(16)15-4-6-20(17,18)7-5-15/h1-3,8H,4-7H2
InChIKeyZQEJSFBKRIZJFG-UHFFFAOYSA-N
XLogP1.91
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1,1-dioxo-1,4-thiazinan-4-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(4-fluoro-1-benzothiophen-2-yl)methanone
CID 17437748
[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(4-fluoro-1-benzothiophen-2-yl)methanone
CID 31482465
methyl 1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carboxylate
CID 51153857
(4-fluoro-1-benzothiophen-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51456697
2-[1-(4-fluoro-1-benzothiophene-2-carbonyl)azetidin-3-yl]acetic acid
CID 64604582
(3R)-1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 51888649
[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51144873
(4-fluoro-1-benzothiophen-2-yl)-(2-phenylmorpholin-4-yl)methanone
CID 43057357
2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 30292798
(4-fluoro-1-benzothiophen-2-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone
CID 38467692
2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 43017477
(2-bromo-6-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 113251014

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone (CID 84583540) is (1,1-dioxo-1,4-thiazinan-4-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone is O=C(c1cc2c(F)cccc2s1)N1CCS(=O)(=O)CC1.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone?
The InChIKey is ZQEJSFBKRIZJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3S2/c14-10-2-1-3-11-9(10)8-12(19-11)13(16)15-4-6-20(17,18)7-5-15/h1-3,8H,4-7H2.
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone?
(1,1-dioxo-1,4-thiazinan-4-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone has a molecular weight of 313.38 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 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)-(4-fluoro-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 84583540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).