2-(2-ethylphenyl)-1,2,6-thiadiazinane 1,1-dioxide

C11H16N2O2S — CID 117003072

IUPAC2-(2-ethylphenyl)-1,2,6-thiadiazinane 1,1-dioxide
SMILESCCc1ccccc1N1CCCNS1(=O)=O
InChIInChI=1S/C11H16N2O2S/c1-2-10-6-3-4-7-11(10)13-9-5-8-12-16(13,14)15/h3-4,6-7,12H,2,5,8-9H2,1H3
InChIKeyYDGYDEALMPTENK-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.29
Rot. Bonds2

About 2-(2-ethylphenyl)-1,2,6-thiadiazinane 1,1-dioxide

2-(2-ethylphenyl)-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 117003072) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-(2-ethylphenyl)-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID117003072
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-(2-ethylphenyl)-1,2,6-thiadiazinane 1,1-dioxide
SMILESCCc1ccccc1N1CCCNS1(=O)=O
InChIInChI=1S/C11H16N2O2S/c1-2-10-6-3-4-7-11(10)13-9-5-8-12-16(13,14)15/h3-4,6-7,12H,2,5,8-9H2,1H3
InChIKeyYDGYDEALMPTENK-UHFFFAOYSA-N
XLogP1.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 2-(2-ethylphenyl)-1,2,6-thiadiazinane 1,1-dioxide (CID 117003072) is 2-(2-ethylphenyl)-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 2-(2-ethylphenyl)-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 2-(2-ethylphenyl)-1,2,6-thiadiazinane 1,1-dioxide is CCc1ccccc1N1CCCNS1(=O)=O.
What is the InChIKey of 2-(2-ethylphenyl)-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is YDGYDEALMPTENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-2-10-6-3-4-7-11(10)13-9-5-8-12-16(13,14)15/h3-4,6-7,12H,2,5,8-9H2,1H3.
What are the key properties of 2-(2-ethylphenyl)-1,2,6-thiadiazinane 1,1-dioxide?
2-(2-ethylphenyl)-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 240.33 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 117003072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).