4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide

C10H13FN2O2S — CID 172880678

IUPAC4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ncccc2F)CC1
InChIInChI=1S/C10H13FN2O2S/c11-9-2-1-3-12-10(9)8-13-4-6-16(14,15)7-5-13/h1-3H,4-8H2
InChIKeyQLSQRJVCRAUQPE-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.45
Rot. Bonds2

About 4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide

4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 172880678) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID172880678
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC Name4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ncccc2F)CC1
InChIInChI=1S/C10H13FN2O2S/c11-9-2-1-3-12-10(9)8-13-4-6-16(14,15)7-5-13/h1-3H,4-8H2
InChIKeyQLSQRJVCRAUQPE-UHFFFAOYSA-N
XLogP0.45
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide (CID 172880678) is 4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(Cc2ncccc2F)CC1.
What is the InChIKey of 4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is QLSQRJVCRAUQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c11-9-2-1-3-12-10(9)8-13-4-6-16(14,15)7-5-13/h1-3H,4-8H2.
What are the key properties of 4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide?
4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 244.29 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 172880678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).