N'-hydroxy-4-[(methylsulfamoylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide

C5H10N6O4S — CID 140518115

IUPACN'-hydroxy-4-[(methylsulfamoylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide
SMILESCNS(=O)(=O)NCc1nonc1/C(N)=N/O
InChIInChI=1S/C5H10N6O4S/c1-7-16(13,14)8-2-3-4(5(6)9-12)11-15-10-3/h7-8,12H,2H2,1H3,(H2,6,9)
InChIKeyLDCXXOMRBHCPIA-UHFFFAOYSA-N
MW250.24 g/mol
LogP-2.28
Rot. Bonds5

About N'-hydroxy-4-[(methylsulfamoylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide

N'-hydroxy-4-[(methylsulfamoylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 140518115) has the molecular formula C5H10N6O4S and a molecular weight of 250.24 g/mol. Its IUPAC name is N'-hydroxy-4-[(methylsulfamoylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(methylsulfamoylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide
PubChem CID140518115
Molecular FormulaC5H10N6O4S
Molecular Weight250.24 g/mol
Exact Mass250.05
IUPAC NameN'-hydroxy-4-[(methylsulfamoylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide
SMILESCNS(=O)(=O)NCc1nonc1/C(N)=N/O
InChIInChI=1S/C5H10N6O4S/c1-7-16(13,14)8-2-3-4(5(6)9-12)11-15-10-3/h7-8,12H,2H2,1H3,(H2,6,9)
InChIKeyLDCXXOMRBHCPIA-UHFFFAOYSA-N
XLogP-2.28
TPSA155.73 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 5-2.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4-(methylamino)-1,2,5-oxadiazole-3-carboximidamide
CID 142416542
N'-hydroxy-4-[(2-phenylethylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide
CID 137092456
N'-hydroxy-4-[(4-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboximidamide
CID 159980221
N'-hydroxy-4-(3-methylsulfinylpropylamino)-1,2,5-oxadiazole-3-carboximidamide
CID 142416532
4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;hydrate
CID 137272272
N'-hydroxy-3-(methylsulfamoylamino)propanimidamide
CID 104978422
N'-hydroxy-4-[[1-(methylsulfonimidoyl)piperidin-4-yl]amino]-1,2,5-oxadiazole-3-carboximidamide
CID 166835400
N-ethyl-2-[[4-[(Z)-N'-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]sulfanyl]acetamide
CID 142298378
ethane;N'-hydroxy-4-[[(2S)-2-sulfinamoyloxypropyl]amino]-1,2,5-oxadiazole-3-carboximidamide
CID 142298399
2-amino-3-[[4-[(Z)-N'-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]sulfanyl]propanamide
CID 137296270
2-[[4-(N'-hydroxycarbamimidoyl)-1,2,5-oxadiazol-3-yl]sulfanyl]-N-(2-hydroxyethyl)acetamide
CID 154004264
N'-(3-chloro-4-fluorophenyl)-4-[(3-morpholin-4-ylpropylsulfonylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide
CID 89342805

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(methylsulfamoylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of N'-hydroxy-4-[(methylsulfamoylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide (CID 140518115) is N'-hydroxy-4-[(methylsulfamoylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(methylsulfamoylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[(methylsulfamoylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide is CNS(=O)(=O)NCc1nonc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-4-[(methylsulfamoylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is LDCXXOMRBHCPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N6O4S/c1-7-16(13,14)8-2-3-4(5(6)9-12)11-15-10-3/h7-8,12H,2H2,1H3,(H2,6,9).
What are the key properties of N'-hydroxy-4-[(methylsulfamoylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide?
N'-hydroxy-4-[(methylsulfamoylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 250.24 g/mol, XLogP of -2.28, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(methylsulfamoylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 140518115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).