1-[2-(4-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinan-4-yl]-N-methylmethanamine

C11H16BrN3O2S — CID 84609918

IUPAC1-[2-(4-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinan-4-yl]-N-methylmethanamine
SMILESCNCC1CNS(=O)(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C11H16BrN3O2S/c1-13-6-9-7-14-18(16,17)15(8-9)11-4-2-10(12)3-5-11/h2-5,9,13-14H,6-8H2,1H3
InChIKeyGTYMCNMUXOIFRL-UHFFFAOYSA-N
MW334.24 g/mol
LogP0.94
Rot. Bonds3

About 1-[2-(4-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinan-4-yl]-N-methylmethanamine

1-[2-(4-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinan-4-yl]-N-methylmethanamine (PubChem CID 84609918) has the molecular formula C11H16BrN3O2S and a molecular weight of 334.24 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinan-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinan-4-yl]-N-methylmethanamine
PubChem CID84609918
Molecular FormulaC11H16BrN3O2S
Molecular Weight334.24 g/mol
Exact Mass333.01
IUPAC Name1-[2-(4-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinan-4-yl]-N-methylmethanamine
SMILESCNCC1CNS(=O)(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C11H16BrN3O2S/c1-13-6-9-7-14-18(16,17)15(8-9)11-4-2-10(12)3-5-11/h2-5,9,13-14H,6-8H2,1H3
InChIKeyGTYMCNMUXOIFRL-UHFFFAOYSA-N
XLogP0.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinan-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinan-4-yl]-N-methylmethanamine (CID 84609918) is 1-[2-(4-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinan-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinan-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinan-4-yl]-N-methylmethanamine is CNCC1CNS(=O)(=O)N(c2ccc(Br)cc2)C1.
What is the InChIKey of 1-[2-(4-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinan-4-yl]-N-methylmethanamine?
The InChIKey is GTYMCNMUXOIFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2S/c1-13-6-9-7-14-18(16,17)15(8-9)11-4-2-10(12)3-5-11/h2-5,9,13-14H,6-8H2,1H3.
What are the key properties of 1-[2-(4-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinan-4-yl]-N-methylmethanamine?
1-[2-(4-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinan-4-yl]-N-methylmethanamine has a molecular weight of 334.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinan-4-yl]-N-methylmethanamine is sourced from PubChem (CID 84609918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).