(NZ)-N-[2-[[amino(dihydroxy)-λ4-sulfanyl]amino]ethylidene]hydroxylamine;(5-methyl-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl) hydrogen sulfate

C10H19N7O8S2 — CID 142470592

IUPAC(NZ)-N-[2-[[amino(dihydroxy)-λ4-sulfanyl]amino]ethylidene]hydroxylamine;(5-methyl-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl) hydrogen sulfate
SMILESCn1ncc2c1CN1CC2N(OS(=O)(=O)O)C1=O.NS(O)(O)NC/C=N\O
InChIInChI=1S/C8H10N4O5S.C2H9N3O3S/c1-10-6-3-11-4-7(5(6)2-9-10)12(8(11)13)17-18(14,15)16;3-9(7,8)5-2-1-4-6/h2,7H,3-4H2,1H3,(H,14,15,16);1,5-8H,2-3H2/b;4-1-
InChIKeyBSAZCAYKMCEDNA-QJIBRFKQSA-N
MW429.44 g/mol
LogP-0.98
Rot. Bonds5

About (NZ)-N-[2-[[amino(dihydroxy)-λ4-sulfanyl]amino]ethylidene]hydroxylamine;(5-methyl-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl) hydrogen sulfate

(NZ)-N-[2-[[amino(dihydroxy)-λ4-sulfanyl]amino]ethylidene]hydroxylamine;(5-methyl-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl) hydrogen sulfate (PubChem CID 142470592) has the molecular formula C10H19N7O8S2 and a molecular weight of 429.44 g/mol. Its IUPAC name is (NZ)-N-[2-[[amino(dihydroxy)-λ4-sulfanyl]amino]ethylidene]hydroxylamine;(5-methyl-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(NZ)-N-[2-[[amino(dihydroxy)-λ4-sulfanyl]amino]ethylidene]hydroxylamine;(5-methyl-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl) hydrogen sulfate
PubChem CID142470592
Molecular FormulaC10H19N7O8S2
Molecular Weight429.44 g/mol
Exact Mass429.07
IUPAC Name(NZ)-N-[2-[[amino(dihydroxy)-λ4-sulfanyl]amino]ethylidene]hydroxylamine;(5-methyl-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl) hydrogen sulfate
SMILESCn1ncc2c1CN1CC2N(OS(=O)(=O)O)C1=O.NS(O)(O)NC/C=N\O
InChIInChI=1S/C8H10N4O5S.C2H9N3O3S/c1-10-6-3-11-4-7(5(6)2-9-10)12(8(11)13)17-18(14,15)16;3-9(7,8)5-2-1-4-6/h2,7H,3-4H2,1H3,(H,14,15,16);1,5-8H,2-3H2/b;4-1-
InChIKeyBSAZCAYKMCEDNA-QJIBRFKQSA-N
XLogP-0.98
TPSA216.07 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500429.44
LogP ≤ 5-0.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze (NZ)-N-[2-[[amino(dihydroxy)-λ4-sulfanyl]amino]ethylidene]hydroxylamine;(5-methyl-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

N-[amino(dihydroxy)-λ4-sulfanyl]oxy-N'-methylmethanimidamide;(5-methyl-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl) hydrogen sulfate
CID 142470642
N'-hydroxy-N-methoxymethanimidamide;(5-methyl-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl) hydrogen sulfate
CID 142470526
2-methyl-2-[(methyliminomethylamino)oxycarbonylamino]propanoic acid;(5-methyl-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl) hydrogen sulfate
CID 142470599
(5-carbamoyl-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl) hydrogen sulfate
CID 10381654
(5-methyl-9-oxo-3,4,5,8,10-pentazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl) hydrogen sulfate
CID 69345705
[(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-[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
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)-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
[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
[(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
(9-oxo-3,4,5,8,10-pentazatricyclo[6.2.1.02,6]undeca-2,5-dien-10-yl) hydrogen sulfate
CID 69346232

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[2-[[amino(dihydroxy)-λ4-sulfanyl]amino]ethylidene]hydroxylamine;(5-methyl-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 (NZ)-N-[2-[[amino(dihydroxy)-λ4-sulfanyl]amino]ethylidene]hydroxylamine;(5-methyl-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl) hydrogen sulfate (CID 142470592) is (NZ)-N-[2-[[amino(dihydroxy)-λ4-sulfanyl]amino]ethylidene]hydroxylamine;(5-methyl-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 (NZ)-N-[2-[[amino(dihydroxy)-λ4-sulfanyl]amino]ethylidene]hydroxylamine;(5-methyl-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 (NZ)-N-[2-[[amino(dihydroxy)-λ4-sulfanyl]amino]ethylidene]hydroxylamine;(5-methyl-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl) hydrogen sulfate is Cn1ncc2c1CN1CC2N(OS(=O)(=O)O)C1=O.NS(O)(O)NC/C=N\O.
What is the InChIKey of (NZ)-N-[2-[[amino(dihydroxy)-λ4-sulfanyl]amino]ethylidene]hydroxylamine;(5-methyl-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl) hydrogen sulfate?
The InChIKey is BSAZCAYKMCEDNA-QJIBRFKQSA-N. The full InChI is InChI=1S/C8H10N4O5S.C2H9N3O3S/c1-10-6-3-11-4-7(5(6)2-9-10)12(8(11)13)17-18(14,15)16;3-9(7,8)5-2-1-4-6/h2,7H,3-4H2,1H3,(H,14,15,16);1,5-8H,2-3H2/b;4-1-.
What are the key properties of (NZ)-N-[2-[[amino(dihydroxy)-λ4-sulfanyl]amino]ethylidene]hydroxylamine;(5-methyl-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl) hydrogen sulfate?
(NZ)-N-[2-[[amino(dihydroxy)-λ4-sulfanyl]amino]ethylidene]hydroxylamine;(5-methyl-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 429.44 g/mol, XLogP of -0.98, 5 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2-[[amino(dihydroxy)-λ4-sulfanyl]amino]ethylidene]hydroxylamine;(5-methyl-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 142470592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).