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

C16H24N4O5S — CID 90372528

IUPACtert-butyl N-[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)OC(C)(C)C
InChIInChI=1S/C16H24N4O5S/c1-15(2,3)25-14(21)18-16(4,5)9-24-11-8-6-7-10-12(11)13(17)20-26(22,23)19-10/h6-8,19H,9H2,1-5H3,(H2,17,20)(H,18,21)
InChIKeyNWDHQDSJECGFIL-UHFFFAOYSA-N
MW384.46 g/mol
LogP1.74
Rot. Bonds4

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

tert-butyl N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate (PubChem CID 90372528) has the molecular formula C16H24N4O5S and a molecular weight of 384.46 g/mol. Its IUPAC name is tert-butyl N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate
PubChem CID90372528
Molecular FormulaC16H24N4O5S
Molecular Weight384.46 g/mol
Exact Mass384.15
IUPAC Nametert-butyl N-[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)OC(C)(C)C
InChIInChI=1S/C16H24N4O5S/c1-15(2,3)25-14(21)18-16(4,5)9-24-11-8-6-7-10-12(11)13(17)20-26(22,23)19-10/h6-8,19H,9H2,1-5H3,(H2,17,20)(H,18,21)
InChIKeyNWDHQDSJECGFIL-UHFFFAOYSA-N
XLogP1.74
TPSA132.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate (CID 90372528) is tert-butyl 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 tert-butyl N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl 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)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate?
The InChIKey is NWDHQDSJECGFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O5S/c1-15(2,3)25-14(21)18-16(4,5)9-24-11-8-6-7-10-12(11)13(17)20-26(22,23)19-10/h6-8,19H,9H2,1-5H3,(H2,17,20)(H,18,21).
What are the key properties of tert-butyl N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate?
tert-butyl 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 384.46 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 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 90372528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).