2-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide

C13H19NO2S — CID 82298549

IUPAC2-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide
SMILESCc1cc(C)c(C2CNCCS2(=O)=O)c(C)c1
InChIInChI=1S/C13H19NO2S/c1-9-6-10(2)13(11(3)7-9)12-8-14-4-5-17(12,15)16/h6-7,12,14H,4-5,8H2,1-3H3
InChIKeyRYKRTZFZVVVMHU-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.67
Rot. Bonds1

About 2-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide

2-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 82298549) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide
PubChem CID82298549
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide
SMILESCc1cc(C)c(C2CNCCS2(=O)=O)c(C)c1
InChIInChI=1S/C13H19NO2S/c1-9-6-10(2)13(11(3)7-9)12-8-14-4-5-17(12,15)16/h6-7,12,14H,4-5,8H2,1-3H3
InChIKeyRYKRTZFZVVVMHU-UHFFFAOYSA-N
XLogP1.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 2-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide (CID 82298549) is 2-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 2-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 2-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide is Cc1cc(C)c(C2CNCCS2(=O)=O)c(C)c1.
What is the InChIKey of 2-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is RYKRTZFZVVVMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-9-6-10(2)13(11(3)7-9)12-8-14-4-5-17(12,15)16/h6-7,12,14H,4-5,8H2,1-3H3.
What are the key properties of 2-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide?
2-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 253.37 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 82298549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).