3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-2,2-dimethylpropanamide

C14H19FN2O3S — CID 104925276

IUPAC3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNC1CCS(=O)(=O)c2ccc(F)cc21)C(N)=O
InChIInChI=1S/C14H19FN2O3S/c1-14(2,13(16)18)8-17-11-5-6-21(19,20)12-4-3-9(15)7-10(11)12/h3-4,7,11,17H,5-6,8H2,1-2H3,(H2,16,18)
InChIKeySPBFNABAHVHZFN-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.15
Rot. Bonds4

About 3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-2,2-dimethylpropanamide

3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-2,2-dimethylpropanamide (PubChem CID 104925276) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-2,2-dimethylpropanamide
PubChem CID104925276
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC Name3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNC1CCS(=O)(=O)c2ccc(F)cc21)C(N)=O
InChIInChI=1S/C14H19FN2O3S/c1-14(2,13(16)18)8-17-11-5-6-21(19,20)12-4-3-9(15)7-10(11)12/h3-4,7,11,17H,5-6,8H2,1-2H3,(H2,16,18)
InChIKeySPBFNABAHVHZFN-UHFFFAOYSA-N
XLogP1.15
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-2,2-dimethylpropanamide with MolForge

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Related Compounds

3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-1-ol
CID 43382134
3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]propane-1,2-diol
CID 66175877
6-fluoro-1,1-dioxo-N-(2-propan-2-yloxyethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 104759339
(2S)-2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]butan-1-ol
CID 104980580
6-fluoro-1,1-dioxo-N-(3-propoxypropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 82941544
6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromene-4-carboxylic acid
CID 84704436
6-fluoro-N-(4-methylpentan-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43440318
6-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 103917923
(4R)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 28947359
N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)piperidin-1-amine
CID 83006782
N-(3-ethylpentan-2-yl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 63842929
6-fluoro-1,1-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 60979168

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-2,2-dimethylpropanamide (CID 104925276) is 3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-2,2-dimethylpropanamide is CC(C)(CNC1CCS(=O)(=O)c2ccc(F)cc21)C(N)=O.
What is the InChIKey of 3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is SPBFNABAHVHZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-14(2,13(16)18)8-17-11-5-6-21(19,20)12-4-3-9(15)7-10(11)12/h3-4,7,11,17H,5-6,8H2,1-2H3,(H2,16,18).
What are the key properties of 3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-2,2-dimethylpropanamide?
3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 314.38 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 104925276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).