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

C19H24N2O2S — CID 20921547

IUPAC2,6-bis[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESCc1ccc(CN2CCCN(Cc3ccc(C)cc3)S2(=O)=O)cc1
InChIInChI=1S/C19H24N2O2S/c1-16-4-8-18(9-5-16)14-20-12-3-13-21(24(20,22)23)15-19-10-6-17(2)7-11-19/h4-11H,3,12-15H2,1-2H3
InChIKeyJZXMVXNHPVGZRK-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.26
Rot. Bonds4

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

2,6-bis[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 20921547) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2,6-bis[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name2,6-bis[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID20921547
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2,6-bis[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESCc1ccc(CN2CCCN(Cc3ccc(C)cc3)S2(=O)=O)cc1
InChIInChI=1S/C19H24N2O2S/c1-16-4-8-18(9-5-16)14-20-12-3-13-21(24(20,22)23)15-19-10-6-17(2)7-11-19/h4-11H,3,12-15H2,1-2H3
InChIKeyJZXMVXNHPVGZRK-UHFFFAOYSA-N
XLogP3.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,6-bis[(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

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 2,6-bis[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide (CID 20921547) is 2,6-bis[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 2,6-bis[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 2,6-bis[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide is Cc1ccc(CN2CCCN(Cc3ccc(C)cc3)S2(=O)=O)cc1.
What is the InChIKey of 2,6-bis[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is JZXMVXNHPVGZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-16-4-8-18(9-5-16)14-20-12-3-13-21(24(20,22)23)15-19-10-6-17(2)7-11-19/h4-11H,3,12-15H2,1-2H3.
What are the key properties of 2,6-bis[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
2,6-bis[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 344.48 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 20921547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).