3-methyl-5-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide

C12H17NO2S — CID 66218189

IUPAC3-methyl-5-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide
SMILESCc1ccc(C2CS(=O)(=O)CC(C)N2)cc1
InChIInChI=1S/C12H17NO2S/c1-9-3-5-11(6-4-9)12-8-16(14,15)7-10(2)13-12/h3-6,10,12-13H,7-8H2,1-2H3
InChIKeyYWZXLNLIPOOJQI-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.44
Rot. Bonds1

About 3-methyl-5-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide

3-methyl-5-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 66218189) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-methyl-5-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-5-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide
PubChem CID66218189
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name3-methyl-5-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide
SMILESCc1ccc(C2CS(=O)(=O)CC(C)N2)cc1
InChIInChI=1S/C12H17NO2S/c1-9-3-5-11(6-4-9)12-8-16(14,15)7-10(2)13-12/h3-6,10,12-13H,7-8H2,1-2H3
InChIKeyYWZXLNLIPOOJQI-UHFFFAOYSA-N
XLogP1.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-methyl-5-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide (CID 66218189) is 3-methyl-5-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-methyl-5-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-methyl-5-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide is Cc1ccc(C2CS(=O)(=O)CC(C)N2)cc1.
What is the InChIKey of 3-methyl-5-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is YWZXLNLIPOOJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9-3-5-11(6-4-9)12-8-16(14,15)7-10(2)13-12/h3-6,10,12-13H,7-8H2,1-2H3.
What are the key properties of 3-methyl-5-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide?
3-methyl-5-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 239.34 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 66218189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).