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

C18H21ClN2O2S — CID 20921560

IUPAC2-[(4-chlorophenyl)methyl]-6-[(2-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESCc1ccccc1CN1CCCN(Cc2ccc(Cl)cc2)S1(=O)=O
InChIInChI=1S/C18H21ClN2O2S/c1-15-5-2-3-6-17(15)14-21-12-4-11-20(24(21,22)23)13-16-7-9-18(19)10-8-16/h2-3,5-10H,4,11-14H2,1H3
InChIKeyNJWDIOUNLPNVGR-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.60
Rot. Bonds4

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

2-[(4-chlorophenyl)methyl]-6-[(2-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 20921560) has the molecular formula C18H21ClN2O2S and a molecular weight of 364.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-6-[(2-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-6-[(2-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID20921560
Molecular FormulaC18H21ClN2O2S
Molecular Weight364.90 g/mol
Exact Mass364.10
IUPAC Name2-[(4-chlorophenyl)methyl]-6-[(2-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESCc1ccccc1CN1CCCN(Cc2ccc(Cl)cc2)S1(=O)=O
InChIInChI=1S/C18H21ClN2O2S/c1-15-5-2-3-6-17(15)14-21-12-4-11-20(24(21,22)23)13-16-7-9-18(19)10-8-16/h2-3,5-10H,4,11-14H2,1H3
InChIKeyNJWDIOUNLPNVGR-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-6-[(2-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-6-[(2-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide (CID 20921560) is 2-[(4-chlorophenyl)methyl]-6-[(2-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-6-[(2-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-6-[(2-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide is Cc1ccccc1CN1CCCN(Cc2ccc(Cl)cc2)S1(=O)=O.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-6-[(2-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is NJWDIOUNLPNVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2S/c1-15-5-2-3-6-17(15)14-21-12-4-11-20(24(21,22)23)13-16-7-9-18(19)10-8-16/h2-3,5-10H,4,11-14H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-6-[(2-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
2-[(4-chlorophenyl)methyl]-6-[(2-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-[(2-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 20921560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).