2-(6-fluoro-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propan-1-amine

C11H15FN2O2S — CID 84637053

IUPAC2-(6-fluoro-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propan-1-amine
SMILESCC(CN)N1CCS(=O)(=O)c2ccc(F)cc21
InChIInChI=1S/C11H15FN2O2S/c1-8(7-13)14-4-5-17(15,16)11-3-2-9(12)6-10(11)14/h2-3,6,8H,4-5,7,13H2,1H3
InChIKeyIGWPYFVFSQRYHS-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.77
Rot. Bonds2

About 2-(6-fluoro-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propan-1-amine

2-(6-fluoro-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propan-1-amine (PubChem CID 84637053) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(6-fluoro-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(6-fluoro-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propan-1-amine
PubChem CID84637053
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name2-(6-fluoro-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propan-1-amine
SMILESCC(CN)N1CCS(=O)(=O)c2ccc(F)cc21
InChIInChI=1S/C11H15FN2O2S/c1-8(7-13)14-4-5-17(15,16)11-3-2-9(12)6-10(11)14/h2-3,6,8H,4-5,7,13H2,1H3
InChIKeyIGWPYFVFSQRYHS-UHFFFAOYSA-N
XLogP0.77
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-fluoro-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propan-1-amine with MolForge

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Related Compounds

2-(6,7-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propan-1-amine
CID 84640937
1-(7-fluoro-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propan-2-amine
CID 84637028
N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)piperidin-1-amine
CID 83006782
2-amino-1-(4-fluoro-2-morpholin-4-ylphenyl)ethanol
CID 117115347
2-(2,6-dichlorophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 103494477
2-(6-fluoro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-3-yl)acetonitrile
CID 84635177
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]propan-1-amine
CID 63339468
3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid
CID 103494512
2-(4-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine
CID 62136156
2-(6-fluoro-2,3-dihydroindol-1-yl)-5-methylsulfanylpentan-1-amine
CID 103494475
6-fluoro-N-(4-methylpentan-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43440318
(4R)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 28947359

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propan-1-amine?
The IUPAC name of 2-(6-fluoro-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propan-1-amine (CID 84637053) is 2-(6-fluoro-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propan-1-amine.
What is the SMILES notation for 2-(6-fluoro-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propan-1-amine?
The canonical SMILES for 2-(6-fluoro-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propan-1-amine is CC(CN)N1CCS(=O)(=O)c2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propan-1-amine?
The InChIKey is IGWPYFVFSQRYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-8(7-13)14-4-5-17(15,16)11-3-2-9(12)6-10(11)14/h2-3,6,8H,4-5,7,13H2,1H3.
What are the key properties of 2-(6-fluoro-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propan-1-amine?
2-(6-fluoro-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propan-1-amine has a molecular weight of 258.32 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propan-1-amine is sourced from PubChem (CID 84637053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).