[1-[[2-(1,1-dioxo-4H-pyrido[3,2-e][1,2,4]thiadiazin-3-yl)acetyl]oxymethyl]cyclopropyl]azanium

C12H15N4O4S+ — CID 163598159

IUPAC[1-[[2-(1,1-dioxo-4H-pyrido[3,2-e][1,2,4]thiadiazin-3-yl)acetyl]oxymethyl]cyclopropyl]azanium
SMILES[NH3+]C1(COC(=O)CC2=NS(=O)(=O)c3ncccc3N2)CC1
InChIInChI=1S/C12H14N4O4S/c13-12(3-4-12)7-20-10(17)6-9-15-8-2-1-5-14-11(8)21(18,19)16-9/h1-2,5H,3-4,6-7,13H2,(H,15,16)/p+1
InChIKeyGVGZMLKWJAJJEO-UHFFFAOYSA-O
MW311.34 g/mol
LogP-0.70
Rot. Bonds4

About [1-[[2-(1,1-dioxo-4H-pyrido[3,2-e][1,2,4]thiadiazin-3-yl)acetyl]oxymethyl]cyclopropyl]azanium

[1-[[2-(1,1-dioxo-4H-pyrido[3,2-e][1,2,4]thiadiazin-3-yl)acetyl]oxymethyl]cyclopropyl]azanium (PubChem CID 163598159) has the molecular formula C12H15N4O4S+ and a molecular weight of 311.34 g/mol. Its IUPAC name is [1-[[2-(1,1-dioxo-4H-pyrido[3,2-e][1,2,4]thiadiazin-3-yl)acetyl]oxymethyl]cyclopropyl]azanium.

Molecular Properties

Compound Name[1-[[2-(1,1-dioxo-4H-pyrido[3,2-e][1,2,4]thiadiazin-3-yl)acetyl]oxymethyl]cyclopropyl]azanium
PubChem CID163598159
Molecular FormulaC12H15N4O4S+
Molecular Weight311.34 g/mol
Exact Mass311.08
IUPAC Name[1-[[2-(1,1-dioxo-4H-pyrido[3,2-e][1,2,4]thiadiazin-3-yl)acetyl]oxymethyl]cyclopropyl]azanium
SMILES[NH3+]C1(COC(=O)CC2=NS(=O)(=O)c3ncccc3N2)CC1
InChIInChI=1S/C12H14N4O4S/c13-12(3-4-12)7-20-10(17)6-9-15-8-2-1-5-14-11(8)21(18,19)16-9/h1-2,5H,3-4,6-7,13H2,(H,15,16)/p+1
InChIKeyGVGZMLKWJAJJEO-UHFFFAOYSA-O
XLogP-0.70
TPSA125.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[[2-(1,1-dioxo-4H-pyrido[3,2-e][1,2,4]thiadiazin-3-yl)acetyl]oxymethyl]cyclopropyl]azanium with MolForge

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Related Compounds

ethyl 2-(8-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetate
CID 10402406
ethyl 2-(1,4-dihydroquinazolin-2-yl)acetate
CID 150705545
N-(2,4-dimethoxyphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide
CID 22588771
2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 51661460
2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 20902320
ethyl 2-quinolin-8-ylacetate
CID 52562898
ethyl 4-(3-ethyl-2-pyridinyl)-4-oxobutanoate
CID 82741416
ethane;ethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetate
CID 91082689
2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 140922627
2-amino-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethanone
CID 96629973
ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate
CID 134663371
pyrimidin-2-ylmethyl 2-(2-aminophenoxy)acetate
CID 62698645

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(1,1-dioxo-4H-pyrido[3,2-e][1,2,4]thiadiazin-3-yl)acetyl]oxymethyl]cyclopropyl]azanium?
The IUPAC name of [1-[[2-(1,1-dioxo-4H-pyrido[3,2-e][1,2,4]thiadiazin-3-yl)acetyl]oxymethyl]cyclopropyl]azanium (CID 163598159) is [1-[[2-(1,1-dioxo-4H-pyrido[3,2-e][1,2,4]thiadiazin-3-yl)acetyl]oxymethyl]cyclopropyl]azanium.
What is the SMILES notation for [1-[[2-(1,1-dioxo-4H-pyrido[3,2-e][1,2,4]thiadiazin-3-yl)acetyl]oxymethyl]cyclopropyl]azanium?
The canonical SMILES for [1-[[2-(1,1-dioxo-4H-pyrido[3,2-e][1,2,4]thiadiazin-3-yl)acetyl]oxymethyl]cyclopropyl]azanium is [NH3+]C1(COC(=O)CC2=NS(=O)(=O)c3ncccc3N2)CC1.
What is the InChIKey of [1-[[2-(1,1-dioxo-4H-pyrido[3,2-e][1,2,4]thiadiazin-3-yl)acetyl]oxymethyl]cyclopropyl]azanium?
The InChIKey is GVGZMLKWJAJJEO-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H14N4O4S/c13-12(3-4-12)7-20-10(17)6-9-15-8-2-1-5-14-11(8)21(18,19)16-9/h1-2,5H,3-4,6-7,13H2,(H,15,16)/p+1.
What are the key properties of [1-[[2-(1,1-dioxo-4H-pyrido[3,2-e][1,2,4]thiadiazin-3-yl)acetyl]oxymethyl]cyclopropyl]azanium?
[1-[[2-(1,1-dioxo-4H-pyrido[3,2-e][1,2,4]thiadiazin-3-yl)acetyl]oxymethyl]cyclopropyl]azanium has a molecular weight of 311.34 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(1,1-dioxo-4H-pyrido[3,2-e][1,2,4]thiadiazin-3-yl)acetyl]oxymethyl]cyclopropyl]azanium is sourced from PubChem (CID 163598159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).