2-[(2,5-dimethylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide

C20H26N2O2S — CID 20921510

IUPAC2-[(2,5-dimethylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESCc1ccc(CN2CCCN(Cc3cc(C)ccc3C)S2(=O)=O)cc1
InChIInChI=1S/C20H26N2O2S/c1-16-6-9-19(10-7-16)14-21-11-4-12-22(25(21,23)24)15-20-13-17(2)5-8-18(20)3/h5-10,13H,4,11-12,14-15H2,1-3H3
InChIKeyIFKIVWRKQBZBNU-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.56
Rot. Bonds4

About 2-[(2,5-dimethylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide

2-[(2,5-dimethylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 20921510) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID20921510
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name2-[(2,5-dimethylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESCc1ccc(CN2CCCN(Cc3cc(C)ccc3C)S2(=O)=O)cc1
InChIInChI=1S/C20H26N2O2S/c1-16-6-9-19(10-7-16)14-21-11-4-12-22(25(21,23)24)15-20-13-17(2)5-8-18(20)3/h5-10,13H,4,11-12,14-15H2,1-3H3
InChIKeyIFKIVWRKQBZBNU-UHFFFAOYSA-N
XLogP3.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2,5-dimethylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 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

Related Compounds

2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline
CID 3057770
1-Methyl-4-(naphthalen-2-ylmethyl)piperazine
CID 765796
Piperidine, 1-(2-naphthalenylmethyl)-
CID 204543
2,7,8-Trimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 10220615
1-[(3-Methylnaphthalen-2-yl)methyl]piperidine
CID 1859634
2-(2-Methylbenzyl)-6-(4-methylbenzyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 20921543
2,6-Bis(4-methylbenzyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 20921547
1-[(2,4-Dimethylphenyl)methyl]-4-methylpiperazine
CID 791382
2,8-dimethyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 9794964
7-ethyl-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 9837869
2,7-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 10130931
2,7-dimethyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 10220613

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide (CID 20921510) is 2-[(2,5-dimethylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide is Cc1ccc(CN2CCCN(Cc3cc(C)ccc3C)S2(=O)=O)cc1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is IFKIVWRKQBZBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-16-6-9-19(10-7-16)14-21-11-4-12-22(25(21,23)24)15-20-13-17(2)5-8-18(20)3/h5-10,13H,4,11-12,14-15H2,1-3H3.
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
2-[(2,5-dimethylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 358.51 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 20921510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).