3-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide

C12H17NO2S — CID 82292536

IUPAC3-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCc1ccc(CC2CS(=O)(=O)CCN2)cc1
InChIInChI=1S/C12H17NO2S/c1-10-2-4-11(5-3-10)8-12-9-16(14,15)7-6-13-12/h2-5,12-13H,6-9H2,1H3
InChIKeyWGJFBAJDZGLWIY-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.92
Rot. Bonds2

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

3-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 82292536) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID82292536
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name3-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCc1ccc(CC2CS(=O)(=O)CCN2)cc1
InChIInChI=1S/C12H17NO2S/c1-10-2-4-11(5-3-10)8-12-9-16(14,15)7-6-13-12/h2-5,12-13H,6-9H2,1H3
InChIKeyWGJFBAJDZGLWIY-UHFFFAOYSA-N
XLogP0.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide (CID 82292536) is 3-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide is Cc1ccc(CC2CS(=O)(=O)CCN2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is WGJFBAJDZGLWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-10-2-4-11(5-3-10)8-12-9-16(14,15)7-6-13-12/h2-5,12-13H,6-9H2,1H3.
What are the key properties of 3-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
3-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 239.34 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 82292536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).