5-[2-methyl-2-(methylamino)propoxy]-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-4-amine

C12H18N4O3S — CID 71815910

IUPAC5-[2-methyl-2-(methylamino)propoxy]-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-4-amine
SMILESCNC(C)(C)COc1cccc2c1C(N)=NS(=O)(=O)N2
InChIInChI=1S/C12H18N4O3S/c1-12(2,14-3)7-19-9-6-4-5-8-10(9)11(13)16-20(17,18)15-8/h4-6,14-15H,7H2,1-3H3,(H2,13,16)
InChIKeyTWJKRHQOZGICQB-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.44
Rot. Bonds4

About 5-[2-methyl-2-(methylamino)propoxy]-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-4-amine

5-[2-methyl-2-(methylamino)propoxy]-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-4-amine (PubChem CID 71815910) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-[2-methyl-2-(methylamino)propoxy]-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-4-amine.

Molecular Properties

Compound Name5-[2-methyl-2-(methylamino)propoxy]-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-4-amine
PubChem CID71815910
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name5-[2-methyl-2-(methylamino)propoxy]-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-4-amine
SMILESCNC(C)(C)COc1cccc2c1C(N)=NS(=O)(=O)N2
InChIInChI=1S/C12H18N4O3S/c1-12(2,14-3)7-19-9-6-4-5-8-10(9)11(13)16-20(17,18)15-8/h4-6,14-15H,7H2,1-3H3,(H2,13,16)
InChIKeyTWJKRHQOZGICQB-UHFFFAOYSA-N
XLogP0.44
TPSA105.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-2-(methylamino)propoxy]-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-4-amine?
The IUPAC name of 5-[2-methyl-2-(methylamino)propoxy]-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-4-amine (CID 71815910) is 5-[2-methyl-2-(methylamino)propoxy]-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-4-amine.
What is the SMILES notation for 5-[2-methyl-2-(methylamino)propoxy]-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-4-amine?
The canonical SMILES for 5-[2-methyl-2-(methylamino)propoxy]-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-4-amine is CNC(C)(C)COc1cccc2c1C(N)=NS(=O)(=O)N2.
What is the InChIKey of 5-[2-methyl-2-(methylamino)propoxy]-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-4-amine?
The InChIKey is TWJKRHQOZGICQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-12(2,14-3)7-19-9-6-4-5-8-10(9)11(13)16-20(17,18)15-8/h4-6,14-15H,7H2,1-3H3,(H2,13,16).
What are the key properties of 5-[2-methyl-2-(methylamino)propoxy]-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-4-amine?
5-[2-methyl-2-(methylamino)propoxy]-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-4-amine has a molecular weight of 298.37 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-2-(methylamino)propoxy]-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-4-amine is sourced from PubChem (CID 71815910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).