[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoro-4-pyridinyl]methanamine

C10H14FN3O2S — CID 105389165

IUPAC[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoro-4-pyridinyl]methanamine
SMILESNCc1ccnc(N2CCS(=O)(=O)CC2)c1F
InChIInChI=1S/C10H14FN3O2S/c11-9-8(7-12)1-2-13-10(9)14-3-5-17(15,16)6-4-14/h1-2H,3-7,12H2
InChIKeyWUKJJFONQWVTSI-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.09
Rot. Bonds2

About [2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoro-4-pyridinyl]methanamine

[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoro-4-pyridinyl]methanamine (PubChem CID 105389165) has the molecular formula C10H14FN3O2S and a molecular weight of 259.31 g/mol. Its IUPAC name is [2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoro-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoro-4-pyridinyl]methanamine
PubChem CID105389165
Molecular FormulaC10H14FN3O2S
Molecular Weight259.31 g/mol
Exact Mass259.08
IUPAC Name[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoro-4-pyridinyl]methanamine
SMILESNCc1ccnc(N2CCS(=O)(=O)CC2)c1F
InChIInChI=1S/C10H14FN3O2S/c11-9-8(7-12)1-2-13-10(9)14-3-5-17(15,16)6-4-14/h1-2H,3-7,12H2
InChIKeyWUKJJFONQWVTSI-UHFFFAOYSA-N
XLogP-0.09
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoro-4-pyridinyl]methanamine?
The IUPAC name of [2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoro-4-pyridinyl]methanamine (CID 105389165) is [2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoro-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoro-4-pyridinyl]methanamine?
The canonical SMILES for [2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoro-4-pyridinyl]methanamine is NCc1ccnc(N2CCS(=O)(=O)CC2)c1F.
What is the InChIKey of [2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoro-4-pyridinyl]methanamine?
The InChIKey is WUKJJFONQWVTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2S/c11-9-8(7-12)1-2-13-10(9)14-3-5-17(15,16)6-4-14/h1-2H,3-7,12H2.
What are the key properties of [2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoro-4-pyridinyl]methanamine?
[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoro-4-pyridinyl]methanamine has a molecular weight of 259.31 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoro-4-pyridinyl]methanamine is sourced from PubChem (CID 105389165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).