N-[(1S)-1-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

C16H16FN3O3S — CID 8819599

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESC[C@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O3S/c1-11(12-4-6-13(17)7-5-12)18-16(21)14-3-2-8-20-9-10-24(22,23)19-15(14)20/h2-8,11H,9-10H2,1H3,(H,18,21)/t11-/m0/s1
InChIKeyJAJVSUZBOXXKES-NSHDSACASA-N
MW349.39 g/mol
LogP1.50
Rot. Bonds3

About N-[(1S)-1-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

N-[(1S)-1-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 8819599) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID8819599
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESC[C@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O3S/c1-11(12-4-6-13(17)7-5-12)18-16(21)14-3-2-8-20-9-10-24(22,23)19-15(14)20/h2-8,11H,9-10H2,1H3,(H,18,21)/t11-/m0/s1
InChIKeyJAJVSUZBOXXKES-NSHDSACASA-N
XLogP1.50
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dioxo-N-(4-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 8777356
N-[2-(4-chlorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 9100713
N-(4-ethylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 9115367
N-[1-(2,4-dichlorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 16293556
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 9168387
N-[(4-ethylphenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 9119133
9-methyl-4-oxo-N-(1-phenylethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16033058
N-(4-butan-2-ylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 16273300
2,2-dioxo-N-(2-phenylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 8777050
N-(3,4-dihydro-2H-thiochromen-4-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 16273603
2,2-dioxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrazino[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 16389996
N-[cyclopropyl-(4-methylphenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 17405777

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 8819599) is N-[(1S)-1-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is C[C@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is JAJVSUZBOXXKES-NSHDSACASA-N. The full InChI is InChI=1S/C16H16FN3O3S/c1-11(12-4-6-13(17)7-5-12)18-16(21)14-3-2-8-20-9-10-24(22,23)19-15(14)20/h2-8,11H,9-10H2,1H3,(H,18,21)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 8819599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).