3-cyclobutyl-4-[(5-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide

C14H19FN2O2S — CID 128711264

IUPAC3-cyclobutyl-4-[(5-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ccc(F)cn2)C(C2CCC2)C1
InChIInChI=1S/C14H19FN2O2S/c15-12-4-5-13(16-8-12)9-17-6-7-20(18,19)10-14(17)11-2-1-3-11/h4-5,8,11,14H,1-3,6-7,9-10H2
InChIKeyVUKRGPBXZMKLIN-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.62
Rot. Bonds3

About 3-cyclobutyl-4-[(5-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide

3-cyclobutyl-4-[(5-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 128711264) has the molecular formula C14H19FN2O2S and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-cyclobutyl-4-[(5-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-cyclobutyl-4-[(5-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID128711264
Molecular FormulaC14H19FN2O2S
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC Name3-cyclobutyl-4-[(5-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ccc(F)cn2)C(C2CCC2)C1
InChIInChI=1S/C14H19FN2O2S/c15-12-4-5-13(16-8-12)9-17-6-7-20(18,19)10-14(17)11-2-1-3-11/h4-5,8,11,14H,1-3,6-7,9-10H2
InChIKeyVUKRGPBXZMKLIN-UHFFFAOYSA-N
XLogP1.62
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-4-[(5-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-cyclobutyl-4-[(5-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide (CID 128711264) is 3-cyclobutyl-4-[(5-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-cyclobutyl-4-[(5-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-cyclobutyl-4-[(5-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(Cc2ccc(F)cn2)C(C2CCC2)C1.
What is the InChIKey of 3-cyclobutyl-4-[(5-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is VUKRGPBXZMKLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2S/c15-12-4-5-13(16-8-12)9-17-6-7-20(18,19)10-14(17)11-2-1-3-11/h4-5,8,11,14H,1-3,6-7,9-10H2.
What are the key properties of 3-cyclobutyl-4-[(5-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide?
3-cyclobutyl-4-[(5-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 298.38 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-4-[(5-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 128711264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).