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

C19H24N2O2S — CID 20921543

IUPAC2-[(2-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESCc1ccc(CN2CCCN(Cc3ccccc3C)S2(=O)=O)cc1
InChIInChI=1S/C19H24N2O2S/c1-16-8-10-18(11-9-16)14-20-12-5-13-21(24(20,22)23)15-19-7-4-3-6-17(19)2/h3-4,6-11H,5,12-15H2,1-2H3
InChIKeyJCBOIOCKXFYHQN-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.26
Rot. Bonds4

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

2-[(2-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 20921543) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID20921543
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-[(2-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESCc1ccc(CN2CCCN(Cc3ccccc3C)S2(=O)=O)cc1
InChIInChI=1S/C19H24N2O2S/c1-16-8-10-18(11-9-16)14-20-12-5-13-21(24(20,22)23)15-19-7-4-3-6-17(19)2/h3-4,6-11H,5,12-15H2,1-2H3
InChIKeyJCBOIOCKXFYHQN-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 2-[(2-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide (CID 20921543) is 2-[(2-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide is Cc1ccc(CN2CCCN(Cc3ccccc3C)S2(=O)=O)cc1.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is JCBOIOCKXFYHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-16-8-10-18(11-9-16)14-20-12-5-13-21(24(20,22)23)15-19-7-4-3-6-17(19)2/h3-4,6-11H,5,12-15H2,1-2H3.
What are the key properties of 2-[(2-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
2-[(2-methylphenyl)methyl]-6-[(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-[(2-methylphenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 20921543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).