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

C9H11FN2O2S — CID 83129631

IUPAC3-(5-fluoro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCNC(c2ccc(F)cn2)C1
InChIInChI=1S/C9H11FN2O2S/c10-7-1-2-8(12-5-7)9-6-15(13,14)4-3-11-9/h1-2,5,9,11H,3-4,6H2
InChIKeyLBVPKUIIEJNDOB-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.28
Rot. Bonds1

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

3-(5-fluoro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 83129631) has the molecular formula C9H11FN2O2S and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
PubChem CID83129631
Molecular FormulaC9H11FN2O2S
Molecular Weight230.26 g/mol
Exact Mass230.05
IUPAC Name3-(5-fluoro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCNC(c2ccc(F)cn2)C1
InChIInChI=1S/C9H11FN2O2S/c10-7-1-2-8(12-5-7)9-6-15(13,14)4-3-11-9/h1-2,5,9,11H,3-4,6H2
InChIKeyLBVPKUIIEJNDOB-UHFFFAOYSA-N
XLogP0.28
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide (CID 83129631) is 3-(5-fluoro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCNC(c2ccc(F)cn2)C1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is LBVPKUIIEJNDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2S/c10-7-1-2-8(12-5-7)9-6-15(13,14)4-3-11-9/h1-2,5,9,11H,3-4,6H2.
What are the key properties of 3-(5-fluoro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide?
3-(5-fluoro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 230.26 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 83129631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).