3-(furan-2-yl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide

C11H17NO2S — CID 66231336

IUPAC3-(furan-2-yl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide
SMILESCC1C(c2ccco2)NC(C)(C)CS1=O
InChIInChI=1S/C11H17NO2S/c1-8-10(9-5-4-6-14-9)12-11(2,3)7-15(8)13/h4-6,8,10,12H,7H2,1-3H3
InChIKeyLFXFPOREZLBUEW-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.84
Rot. Bonds1

About 3-(furan-2-yl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide

3-(furan-2-yl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide (PubChem CID 66231336) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-(furan-2-yl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name3-(furan-2-yl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide
PubChem CID66231336
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name3-(furan-2-yl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide
SMILESCC1C(c2ccco2)NC(C)(C)CS1=O
InChIInChI=1S/C11H17NO2S/c1-8-10(9-5-4-6-14-9)12-11(2,3)7-15(8)13/h4-6,8,10,12H,7H2,1-3H3
InChIKeyLFXFPOREZLBUEW-UHFFFAOYSA-N
XLogP1.84
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4715025
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CID 17389585
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CID 53304359
(6R)-1-(furan-2-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione
CID 53304360
2-(furan-2-ylmethylamino)-N-octylethanesulfonamide
CID 45479984
3-(Furan-2-yl)morpholine
CID 24271584
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CID 45479983
n-((5-((Methylthio)methyl)furan-2-yl)methyl)-2-morpholinoethan-1-amine
CID 43764247
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 43769538
N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide
CID 56790134
2-(5-Methylfuran-2-yl)-1-(3-methylsulfonylpropyl)azepane
CID 72006524
1-[3-(5-Methylfuran-2-yl)thiomorpholin-4-yl]ethanone
CID 84584880

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide?
The IUPAC name of 3-(furan-2-yl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide (CID 66231336) is 3-(furan-2-yl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 3-(furan-2-yl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 3-(furan-2-yl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide is CC1C(c2ccco2)NC(C)(C)CS1=O.
What is the InChIKey of 3-(furan-2-yl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide?
The InChIKey is LFXFPOREZLBUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-8-10(9-5-4-6-14-9)12-11(2,3)7-15(8)13/h4-6,8,10,12H,7H2,1-3H3.
What are the key properties of 3-(furan-2-yl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide?
3-(furan-2-yl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide has a molecular weight of 227.33 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 66231336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).