3-(5-fluoro-2-pyridinyl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide

C12H17FN2OS — CID 112586637

IUPAC3-(5-fluoro-2-pyridinyl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide
SMILESCC1C(c2ccc(F)cn2)NC(C)(C)CS1=O
InChIInChI=1S/C12H17FN2OS/c1-8-11(10-5-4-9(13)6-14-10)15-12(2,3)7-17(8)16/h4-6,8,11,15H,7H2,1-3H3
InChIKeyYFKFXLDRPXLTLF-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.78
Rot. Bonds1

About 3-(5-fluoro-2-pyridinyl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide

3-(5-fluoro-2-pyridinyl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide (PubChem CID 112586637) has the molecular formula C12H17FN2OS and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide
PubChem CID112586637
Molecular FormulaC12H17FN2OS
Molecular Weight256.35 g/mol
Exact Mass256.10
IUPAC Name3-(5-fluoro-2-pyridinyl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide
SMILESCC1C(c2ccc(F)cn2)NC(C)(C)CS1=O
InChIInChI=1S/C12H17FN2OS/c1-8-11(10-5-4-9(13)6-14-10)15-12(2,3)7-17(8)16/h4-6,8,11,15H,7H2,1-3H3
InChIKeyYFKFXLDRPXLTLF-UHFFFAOYSA-N
XLogP1.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide (CID 112586637) is 3-(5-fluoro-2-pyridinyl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide is CC1C(c2ccc(F)cn2)NC(C)(C)CS1=O.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide?
The InChIKey is YFKFXLDRPXLTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2OS/c1-8-11(10-5-4-9(13)6-14-10)15-12(2,3)7-17(8)16/h4-6,8,11,15H,7H2,1-3H3.
What are the key properties of 3-(5-fluoro-2-pyridinyl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide?
3-(5-fluoro-2-pyridinyl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide has a molecular weight of 256.35 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 112586637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).