2-[(4-chlorophenyl)methyl]-6-[(3-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide

C18H21ClN2O2S — CID 20921532

IUPAC2-[(4-chlorophenyl)methyl]-6-[(3-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESCc1cccc(CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)c1
InChIInChI=1S/C18H21ClN2O2S/c1-15-4-2-5-17(12-15)14-21-11-3-10-20(24(21,22)23)13-16-6-8-18(19)9-7-16/h2,4-9,12H,3,10-11,13-14H2,1H3
InChIKeyKRIXOVAFZYGMEZ-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.60
Rot. Bonds4

About 2-[(4-chlorophenyl)methyl]-6-[(3-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide

2-[(4-chlorophenyl)methyl]-6-[(3-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 20921532) has the molecular formula C18H21ClN2O2S and a molecular weight of 364.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-6-[(3-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-6-[(3-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID20921532
Molecular FormulaC18H21ClN2O2S
Molecular Weight364.90 g/mol
Exact Mass364.10
IUPAC Name2-[(4-chlorophenyl)methyl]-6-[(3-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESCc1cccc(CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)c1
InChIInChI=1S/C18H21ClN2O2S/c1-15-4-2-5-17(12-15)14-21-11-3-10-20(24(21,22)23)13-16-6-8-18(19)9-7-16/h2,4-9,12H,3,10-11,13-14H2,1H3
InChIKeyKRIXOVAFZYGMEZ-UHFFFAOYSA-N
XLogP3.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(4-chlorophenyl)methyl]-6-[(3-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-[(4-chlorophenyl)methyl]-6-[(3-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-6-[(3-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide (CID 20921532) is 2-[(4-chlorophenyl)methyl]-6-[(3-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-6-[(3-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-6-[(3-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide is Cc1cccc(CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-6-[(3-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is KRIXOVAFZYGMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2S/c1-15-4-2-5-17(12-15)14-21-11-3-10-20(24(21,22)23)13-16-6-8-18(19)9-7-16/h2,4-9,12H,3,10-11,13-14H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-6-[(3-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
2-[(4-chlorophenyl)methyl]-6-[(3-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 364.90 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-6-[(3-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 20921532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).