N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate

C12H15N4O5S- — CID 86730125

IUPACN-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate
SMILESCC(C)(COc1cccc2c1C(N)=NS(=O)(=O)N2)NC(=O)[O-]
InChIInChI=1S/C12H16N4O5S/c1-12(2,14-11(17)18)6-21-8-5-3-4-7-9(8)10(13)16-22(19,20)15-7/h3-5,14-15H,6H2,1-2H3,(H2,13,16)(H,17,18)/p-1
InChIKeyDJYHKDBOOHDCJM-UHFFFAOYSA-M
MW327.34 g/mol
LogP-0.85
Rot. Bonds4

About N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate

N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate (PubChem CID 86730125) has the molecular formula C12H15N4O5S- and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound NameN-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate
PubChem CID86730125
Molecular FormulaC12H15N4O5S-
Molecular Weight327.34 g/mol
Exact Mass327.08
IUPAC NameN-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate
SMILESCC(C)(COc1cccc2c1C(N)=NS(=O)(=O)N2)NC(=O)[O-]
InChIInChI=1S/C12H16N4O5S/c1-12(2,14-11(17)18)6-21-8-5-3-4-7-9(8)10(13)16-22(19,20)15-7/h3-5,14-15H,6H2,1-2H3,(H2,13,16)(H,17,18)/p-1
InChIKeyDJYHKDBOOHDCJM-UHFFFAOYSA-M
XLogP-0.85
TPSA145.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate
CID 90372528
5-[2-methyl-2-(methylamino)propoxy]-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-4-amine
CID 71815910
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-3-hydroxypyridine-4-carboxamide
CID 90372512
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methylamino)pyridine-4-carboxamide
CID 85469556
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylsulfanylpyridine-4-carboxamide
CID 144688564
4-[[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamoyl]pyridine-2-sulfinic acid
CID 90372511
N-[3-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethylpropyl]propanamide
CID 67438662
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(propylamino)pyridine-4-carboxamide
CID 174193433
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(propanoylamino)pyridine-4-carboxamide
CID 90372283
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2,5-dimethylpyrrol-1-yl)pyridine-4-carboxamide
CID 174193424
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide
CID 174193408
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide
CID 90372487

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate?
The IUPAC name of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate (CID 86730125) is N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate is CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)N2)NC(=O)[O-].
What is the InChIKey of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate?
The InChIKey is DJYHKDBOOHDCJM-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H16N4O5S/c1-12(2,14-11(17)18)6-21-8-5-3-4-7-9(8)10(13)16-22(19,20)15-7/h3-5,14-15H,6H2,1-2H3,(H2,13,16)(H,17,18)/p-1.
What are the key properties of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate?
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate has a molecular weight of 327.34 g/mol, XLogP of -0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 86730125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).