methylsulfonyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetate

C5H6N4O5S2 — CID 136950450

IUPACmethylsulfonyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetate
SMILESCS(=O)(=O)OC(=O)/C(=N\O)c1nsc(N)n1
InChIInChI=1S/C5H6N4O5S2/c1-16(12,13)14-4(10)2(8-11)3-7-5(6)15-9-3/h11H,1H3,(H2,6,7,9)/b8-2-
InChIKeyREIIVWWETYPRKE-WAPJZHGLSA-N
MW266.26 g/mol
LogP-1.20
Rot. Bonds3

About methylsulfonyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetate

methylsulfonyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetate (PubChem CID 136950450) has the molecular formula C5H6N4O5S2 and a molecular weight of 266.26 g/mol. Its IUPAC name is methylsulfonyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetate.

Molecular Properties

Compound Namemethylsulfonyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetate
PubChem CID136950450
Molecular FormulaC5H6N4O5S2
Molecular Weight266.26 g/mol
Exact Mass265.98
IUPAC Namemethylsulfonyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetate
SMILESCS(=O)(=O)OC(=O)/C(=N\O)c1nsc(N)n1
InChIInChI=1S/C5H6N4O5S2/c1-16(12,13)14-4(10)2(8-11)3-7-5(6)15-9-3/h11H,1H3,(H2,6,7,9)/b8-2-
InChIKeyREIIVWWETYPRKE-WAPJZHGLSA-N
XLogP-1.20
TPSA144.83 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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_1', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethyliminoacetic acid
CID 91057272
methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methylidenephosphanylmethylimino)acetate
CID 91610042
ethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate
CID 14477682
ethyl (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopropyloxyiminoacetate
CID 22156252
methylsulfonyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 90408096
2-[(E)-[1-(5-amino-1,2,4-thiadiazol-3-yl)-2-chloro-2-oxoethylidene]amino]oxy-2-methylpropanoic acid;hydrochloride
CID 131737859
2-[[2-amino-1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxyacetic acid
CID 54419439
(NZ)-N-[1-(5-amino-1,2,4-thiadiazol-3-yl)ethylidene]hydroxylamine;methyl formate
CID 143957938
methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-trityloxyiminoacetate
CID 59541610
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetic acid;hydrate
CID 131719032
tert-butyl 2-[(E)-[1-(5-amino-1,2,4-thiadiazol-3-yl)-2-chloro-2-oxoethylidene]amino]oxy-2-methylpropanoate;hydrochloride
CID 86743943
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hexoxyiminoacetic acid
CID 139612213

Frequently Asked Questions

What is the IUPAC name of methylsulfonyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetate?
The IUPAC name of methylsulfonyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetate (CID 136950450) is methylsulfonyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetate.
What is the SMILES notation for methylsulfonyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetate?
The canonical SMILES for methylsulfonyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetate is CS(=O)(=O)OC(=O)/C(=N\O)c1nsc(N)n1.
What is the InChIKey of methylsulfonyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetate?
The InChIKey is REIIVWWETYPRKE-WAPJZHGLSA-N. The full InChI is InChI=1S/C5H6N4O5S2/c1-16(12,13)14-4(10)2(8-11)3-7-5(6)15-9-3/h11H,1H3,(H2,6,7,9)/b8-2-.
What are the key properties of methylsulfonyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetate?
methylsulfonyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetate has a molecular weight of 266.26 g/mol, XLogP of -1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetate is sourced from PubChem (CID 136950450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).