3-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-2-yl]-6-(8-fluoronaphthalen-2-yl)-1H-pyridin-2-one

C24H27FN2O3S — CID 137477601

IUPAC3-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-2-yl]-6-(8-fluoronaphthalen-2-yl)-1H-pyridin-2-one
SMILESCC(C)C(CN1CCS(=O)(=O)CC1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C24H27FN2O3S/c1-16(2)21(15-27-10-12-31(29,30)13-11-27)19-8-9-23(26-24(19)28)18-7-6-17-4-3-5-22(25)20(17)14-18/h3-9,14,16,21H,10-13,15H2,1-2H3,(H,26,28)
InChIKeyFCTARDXQUCNONN-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.80
Rot. Bonds5

About 3-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-2-yl]-6-(8-fluoronaphthalen-2-yl)-1H-pyridin-2-one

3-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-2-yl]-6-(8-fluoronaphthalen-2-yl)-1H-pyridin-2-one (PubChem CID 137477601) has the molecular formula C24H27FN2O3S and a molecular weight of 442.56 g/mol. Its IUPAC name is 3-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-2-yl]-6-(8-fluoronaphthalen-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-2-yl]-6-(8-fluoronaphthalen-2-yl)-1H-pyridin-2-one
PubChem CID137477601
Molecular FormulaC24H27FN2O3S
Molecular Weight442.56 g/mol
Exact Mass442.17
IUPAC Name3-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-2-yl]-6-(8-fluoronaphthalen-2-yl)-1H-pyridin-2-one
SMILESCC(C)C(CN1CCS(=O)(=O)CC1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C24H27FN2O3S/c1-16(2)21(15-27-10-12-31(29,30)13-11-27)19-8-9-23(26-24(19)28)18-7-6-17-4-3-5-22(25)20(17)14-18/h3-9,14,16,21H,10-13,15H2,1-2H3,(H,26,28)
InChIKeyFCTARDXQUCNONN-UHFFFAOYSA-N
XLogP3.80
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-2-yl]-6-(8-fluoronaphthalen-2-yl)-1H-pyridin-2-one 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

6-(8-fluoronaphthalen-2-yl)-3-(3-methyl-1-morpholin-4-ylbutan-2-yl)-1H-pyridin-2-one
CID 137477638
6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxopiperidin-1-yl)propyl]-1H-pyridin-2-one
CID 137477747
6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(4-methylsulfonylpiperazin-1-yl)butan-2-yl]-1H-pyridin-2-one
CID 137477893
6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2-oxopiperidin-1-yl)butan-2-yl]-1H-pyridin-2-one
CID 137477920
N-(1,1-dioxothian-4-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide
CID 137477950
3-[1-(1,1-dioxothiazinan-2-yl)-2-methylpropyl]-6-(8-fluoronaphthalen-2-yl)-1H-pyridin-2-one
CID 137487367
2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)butanamide
CID 137487375
N-[(2S)-6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-fluorophenyl)-N-methylbenzamide
CID 44417898
3-[2-(cyclopropylmethyl)-1-oxo-4-piperidin-4-ylsulfonylisoquinolin-6-yl]-5-fluoro-4-methyl-N-propylbenzamide
CID 67135397
3-[2-(Cyclopropylmethyl)-1-oxo-4-piperidin-4-ylsulfonylisoquinolin-6-yl]-5-fluoro-4-methyl-2-propylbenzamide
CID 87283032
3-[1-(1,1-dihydroxy-1,4-thiazinan-4-yl)-3-methylbutan-2-yl]-6-(8-fluoronaphthalen-2-yl)-1H-pyridin-2-one
CID 137477600
N-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]cyclohexanesulfonamide
CID 137477729

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-2-yl]-6-(8-fluoronaphthalen-2-yl)-1H-pyridin-2-one?
The IUPAC name of 3-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-2-yl]-6-(8-fluoronaphthalen-2-yl)-1H-pyridin-2-one (CID 137477601) is 3-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-2-yl]-6-(8-fluoronaphthalen-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-2-yl]-6-(8-fluoronaphthalen-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-2-yl]-6-(8-fluoronaphthalen-2-yl)-1H-pyridin-2-one is CC(C)C(CN1CCS(=O)(=O)CC1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O.
What is the InChIKey of 3-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-2-yl]-6-(8-fluoronaphthalen-2-yl)-1H-pyridin-2-one?
The InChIKey is FCTARDXQUCNONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3S/c1-16(2)21(15-27-10-12-31(29,30)13-11-27)19-8-9-23(26-24(19)28)18-7-6-17-4-3-5-22(25)20(17)14-18/h3-9,14,16,21H,10-13,15H2,1-2H3,(H,26,28).
What are the key properties of 3-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-2-yl]-6-(8-fluoronaphthalen-2-yl)-1H-pyridin-2-one?
3-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-2-yl]-6-(8-fluoronaphthalen-2-yl)-1H-pyridin-2-one has a molecular weight of 442.56 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-2-yl]-6-(8-fluoronaphthalen-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 137477601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).