[(1R,7S)-5-methyl-7-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate

C11H12N6O7S — CID 135376528

IUPAC[(1R,7S)-5-methyl-7-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate
SMILESCn1ncc2c1[C@@H](c1noc(=O)n1C)N1C[C@@H]2N(OS(=O)(=O)O)C1=O
InChIInChI=1S/C11H12N6O7S/c1-14-9(13-23-11(14)19)8-7-5(3-12-15(7)2)6-4-16(8)10(18)17(6)24-25(20,21)22/h3,6,8H,4H2,1-2H3,(H,20,21,22)/t6-,8-/m0/s1
InChIKeyMXOHVCMVKCVGPH-XPUUQOCRSA-N
MW372.32 g/mol
LogP-1.28
Rot. Bonds3

About [(1R,7S)-5-methyl-7-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate

[(1R,7S)-5-methyl-7-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate (PubChem CID 135376528) has the molecular formula C11H12N6O7S and a molecular weight of 372.32 g/mol. Its IUPAC name is [(1R,7S)-5-methyl-7-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate.

Molecular Properties

Compound Name[(1R,7S)-5-methyl-7-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate
PubChem CID135376528
Molecular FormulaC11H12N6O7S
Molecular Weight372.32 g/mol
Exact Mass372.05
IUPAC Name[(1R,7S)-5-methyl-7-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate
SMILESCn1ncc2c1[C@@H](c1noc(=O)n1C)N1C[C@@H]2N(OS(=O)(=O)O)C1=O
InChIInChI=1S/C11H12N6O7S/c1-14-9(13-23-11(14)19)8-7-5(3-12-15(7)2)6-4-16(8)10(18)17(6)24-25(20,21)22/h3,6,8H,4H2,1-2H3,(H,20,21,22)/t6-,8-/m0/s1
InChIKeyMXOHVCMVKCVGPH-XPUUQOCRSA-N
XLogP-1.28
TPSA153.00 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze [(1R,7S)-5-methyl-7-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-3-[(1R,7S)-5-methyl-9-oxo-10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-7-yl]-1,2,4-oxadiazol-5-one
CID 135376530
[(1R,7S)-7-[(Z)-N'-hydroxy-N,N-dimethylcarbamimidoyl]-5-methyl-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate
CID 135376818
[(1R,7S)-7-[(azetidine-3-carbonylamino)carbamoyl]-5-methyl-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate
CID 90422623
[7-(azetidin-3-yloxycarbamoyl)-5-methyl-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate
CID 123419434
bis[(1R,7S)-7-[(Z)-N'-hydroxycarbamimidoyl]-5-methyl-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] sulfate
CID 135376195
[(1R,7S)-7-[N-(2-amino-2-oxoethoxy)-N'-methylcarbamimidoyl]-5-methyl-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate;hydrate
CID 154629268
[(1R,7S)-5-methyl-7-[2-(methylamino)ethoxycarbamoyl]-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate
CID 78426450
[2-[[3-[(1R,7S)-5-methyl-9-oxo-10-prop-2-enoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-7-yl]-5-oxo-1,2,4-oxadiazol-4-yl]methyl]-1,3-thiazol-4-yl]carbamic acid
CID 146585791
[(1R,7S)-7-[[(2-amino-1,3-thiazole-4-carbonyl)amino]carbamoyl]-5-methyl-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate
CID 90422573
sodium [(1R,7S)-7-(N-hydroxy-N'-methylcarbamimidoyl)-5-methyl-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] sulfate
CID 153408303
tert-butyl N-[methyl-[C-[(1R,7S)-5-methyl-9-oxo-10-sulfooxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-7-yl]-N-sulfooxycarbonimidoyl]amino]carbamate
CID 146585762
[(1R,7S)-7-[(E)-C-[[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]methyl]-N-hydroxycarbonimidoyl]-5-methyl-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate
CID 146585770

Frequently Asked Questions

What is the IUPAC name of [(1R,7S)-5-methyl-7-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate?
The IUPAC name of [(1R,7S)-5-methyl-7-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate (CID 135376528) is [(1R,7S)-5-methyl-7-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate.
What is the SMILES notation for [(1R,7S)-5-methyl-7-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate?
The canonical SMILES for [(1R,7S)-5-methyl-7-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate is Cn1ncc2c1[C@@H](c1noc(=O)n1C)N1C[C@@H]2N(OS(=O)(=O)O)C1=O.
What is the InChIKey of [(1R,7S)-5-methyl-7-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate?
The InChIKey is MXOHVCMVKCVGPH-XPUUQOCRSA-N. The full InChI is InChI=1S/C11H12N6O7S/c1-14-9(13-23-11(14)19)8-7-5(3-12-15(7)2)6-4-16(8)10(18)17(6)24-25(20,21)22/h3,6,8H,4H2,1-2H3,(H,20,21,22)/t6-,8-/m0/s1.
What are the key properties of [(1R,7S)-5-methyl-7-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate?
[(1R,7S)-5-methyl-7-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate has a molecular weight of 372.32 g/mol, XLogP of -1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,7S)-5-methyl-7-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate is sourced from PubChem (CID 135376528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).