[3-fluoro-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanamine

C13H19FN2O2S — CID 102882858

IUPAC[3-fluoro-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanamine
SMILESCC1CS(=O)(=O)CCN1Cc1cc(F)cc(CN)c1
InChIInChI=1S/C13H19FN2O2S/c1-10-9-19(17,18)3-2-16(10)8-12-4-11(7-15)5-13(14)6-12/h4-6,10H,2-3,7-9,15H2,1H3
InChIKeyYUAZPKDTXORIDA-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.90
Rot. Bonds3

About [3-fluoro-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanamine

[3-fluoro-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanamine (PubChem CID 102882858) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is [3-fluoro-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanamine
PubChem CID102882858
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name[3-fluoro-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanamine
SMILESCC1CS(=O)(=O)CCN1Cc1cc(F)cc(CN)c1
InChIInChI=1S/C13H19FN2O2S/c1-10-9-19(17,18)3-2-16(10)8-12-4-11(7-15)5-13(14)6-12/h4-6,10H,2-3,7-9,15H2,1H3
InChIKeyYUAZPKDTXORIDA-UHFFFAOYSA-N
XLogP0.90
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-fluoro-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanamine 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

3-fluoro-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzoic acid
CID 102887157
3-chloro-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline
CID 102884244
4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carbothioamide
CID 102883561
2-iodo-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline
CID 112751047
[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]hydrazine
CID 102886415
N'-hydroxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboximidamide
CID 136868244
[3-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine
CID 114592305
[5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]hydrazine
CID 102886414
2-(3-fluorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
CID 102882695
2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-4-amine
CID 102886364
2-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]propanoic acid
CID 102884376
[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 102886834

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanamine?
The IUPAC name of [3-fluoro-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanamine (CID 102882858) is [3-fluoro-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanamine?
The canonical SMILES for [3-fluoro-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanamine is CC1CS(=O)(=O)CCN1Cc1cc(F)cc(CN)c1.
What is the InChIKey of [3-fluoro-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanamine?
The InChIKey is YUAZPKDTXORIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-10-9-19(17,18)3-2-16(10)8-12-4-11(7-15)5-13(14)6-12/h4-6,10H,2-3,7-9,15H2,1H3.
What are the key properties of [3-fluoro-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanamine?
[3-fluoro-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanamine has a molecular weight of 286.37 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 102882858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).