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

C19H23ClN2O2S — CID 20921508

IUPAC2-[(4-chlorophenyl)methyl]-6-[(2,5-dimethylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESCc1ccc(C)c(CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)c1
InChIInChI=1S/C19H23ClN2O2S/c1-15-4-5-16(2)18(12-15)14-22-11-3-10-21(25(22,23)24)13-17-6-8-19(20)9-7-17/h4-9,12H,3,10-11,13-14H2,1-2H3
InChIKeyWPCKARGXRCAPPL-UHFFFAOYSA-N
MW378.93 g/mol
LogP3.91
Rot. Bonds4

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

2-[(4-chlorophenyl)methyl]-6-[(2,5-dimethylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 20921508) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-6-[(2,5-dimethylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-6-[(2,5-dimethylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID20921508
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC Name2-[(4-chlorophenyl)methyl]-6-[(2,5-dimethylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESCc1ccc(C)c(CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)c1
InChIInChI=1S/C19H23ClN2O2S/c1-15-4-5-16(2)18(12-15)14-22-11-3-10-21(25(22,23)24)13-17-6-8-19(20)9-7-17/h4-9,12H,3,10-11,13-14H2,1-2H3
InChIKeyWPCKARGXRCAPPL-UHFFFAOYSA-N
XLogP3.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5-dimethylphenyl)methyl]-6-[(3-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
CID 18592660
N-(2,5-dimethylphenyl)-2-[6-[(2,5-dimethylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 20921519
2-[6-[(2,5-dimethylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 20921514
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[6-[(2,5-dimethylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 53199107
4-methoxy-3-[[6-[(4-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]methyl]benzaldehyde
CID 46341886
2-[6-[(4-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(3,5-dimethoxyphenyl)acetamide
CID 20921568
2-[(2-chlorophenyl)methyl]-6-[(4-ethenylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
CID 20952594
2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 53199056
2-[6-[(4-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 53050143
2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 46279705
2-[5-[(2-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(2,5-dimethylphenyl)acetamide
CID 20921388
4-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-7-methylchromen-2-one
CID 30668836

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-6-[(2,5-dimethylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-6-[(2,5-dimethylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide (CID 20921508) is 2-[(4-chlorophenyl)methyl]-6-[(2,5-dimethylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-6-[(2,5-dimethylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-6-[(2,5-dimethylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide is Cc1ccc(C)c(CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-6-[(2,5-dimethylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is WPCKARGXRCAPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c1-15-4-5-16(2)18(12-15)14-22-11-3-10-21(25(22,23)24)13-17-6-8-19(20)9-7-17/h4-9,12H,3,10-11,13-14H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-6-[(2,5-dimethylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
2-[(4-chlorophenyl)methyl]-6-[(2,5-dimethylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 378.93 g/mol, XLogP of 3.91, 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-[(2,5-dimethylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 20921508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).