3-benzyl-1,4-thiazinane 1,1-dioxide

C11H15NO2S — CID 65170799

IUPAC3-benzyl-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCNC(Cc2ccccc2)C1
InChIInChI=1S/C11H15NO2S/c13-15(14)7-6-12-11(9-15)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKeyDZDNESUYHIHLIK-UHFFFAOYSA-N
MW225.31 g/mol
LogP0.62
Rot. Bonds2

About 3-benzyl-1,4-thiazinane 1,1-dioxide

3-benzyl-1,4-thiazinane 1,1-dioxide (PubChem CID 65170799) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-benzyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-benzyl-1,4-thiazinane 1,1-dioxide
PubChem CID65170799
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name3-benzyl-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCNC(Cc2ccccc2)C1
InChIInChI=1S/C11H15NO2S/c13-15(14)7-6-12-11(9-15)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKeyDZDNESUYHIHLIK-UHFFFAOYSA-N
XLogP0.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 82292536
1-(1,1-dioxo-1,4-thiazinan-3-yl)-3-phenylpropan-2-one
CID 116595361
3-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 115825871
3-(3-benzyl-1,4-diazepan-1-yl)thiolane 1,1-dioxide
CID 64944072
[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]methanol
CID 91666874
3-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)-1,4-thiazinane 1,1-dioxide
CID 80518981
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(2-methylphenyl)ethanone
CID 116595568
1-(1,3-dihydroisoindol-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone
CID 80520763
3-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,4-thiazinane 1,1-dioxide
CID 80518836
3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 80520388
(2S)-2-benzylazetidine;molecular hydrogen
CID 145023089
3-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 80518899

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-benzyl-1,4-thiazinane 1,1-dioxide (CID 65170799) is 3-benzyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-benzyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-benzyl-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCNC(Cc2ccccc2)C1.
What is the InChIKey of 3-benzyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is DZDNESUYHIHLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-15(14)7-6-12-11(9-15)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2.
What are the key properties of 3-benzyl-1,4-thiazinane 1,1-dioxide?
3-benzyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 225.31 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 65170799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).