N'-hydroxy-4-[[1-(methylsulfonimidoyl)piperidin-4-yl]amino]-1,2,5-oxadiazole-3-carboximidamide

C9H17N7O3S — CID 166835400

IUPACN'-hydroxy-4-[[1-(methylsulfonimidoyl)piperidin-4-yl]amino]-1,2,5-oxadiazole-3-carboximidamide
SMILES[H]N=S(C)(=O)N1CCC(Nc2nonc2/C(N)=N\O)CC1
InChIInChI=1S/C9H17N7O3S/c1-20(11,18)16-4-2-6(3-5-16)12-9-7(8(10)13-17)14-19-15-9/h6,11,17H,2-5H2,1H3,(H2,10,13)(H,12,15)
InChIKeyVPFUHTVPBBWBJJ-UHFFFAOYSA-N
MW303.35 g/mol
LogP-0.37
Rot. Bonds4

About N'-hydroxy-4-[[1-(methylsulfonimidoyl)piperidin-4-yl]amino]-1,2,5-oxadiazole-3-carboximidamide

N'-hydroxy-4-[[1-(methylsulfonimidoyl)piperidin-4-yl]amino]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 166835400) has the molecular formula C9H17N7O3S and a molecular weight of 303.35 g/mol. Its IUPAC name is N'-hydroxy-4-[[1-(methylsulfonimidoyl)piperidin-4-yl]amino]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[[1-(methylsulfonimidoyl)piperidin-4-yl]amino]-1,2,5-oxadiazole-3-carboximidamide
PubChem CID166835400
Molecular FormulaC9H17N7O3S
Molecular Weight303.35 g/mol
Exact Mass303.11
IUPAC NameN'-hydroxy-4-[[1-(methylsulfonimidoyl)piperidin-4-yl]amino]-1,2,5-oxadiazole-3-carboximidamide
SMILES[H]N=S(C)(=O)N1CCC(Nc2nonc2/C(N)=N\O)CC1
InChIInChI=1S/C9H17N7O3S/c1-20(11,18)16-4-2-6(3-5-16)12-9-7(8(10)13-17)14-19-15-9/h6,11,17H,2-5H2,1H3,(H2,10,13)(H,12,15)
InChIKeyVPFUHTVPBBWBJJ-UHFFFAOYSA-N
XLogP-0.37
TPSA153.72 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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'-(3-bromo-4-fluorophenyl)-4-[(2-methylsulfonyl-2-azaspiro[3.3]heptan-6-yl)amino]-1,2,5-oxadiazole-3-carboximidamide
CID 146652669
ethane;N'-hydroxy-4-[[(2S)-2-sulfinamoyloxypropyl]amino]-1,2,5-oxadiazole-3-carboximidamide
CID 142298399
(4-cyclobutylpiperidin-1-yl)-imino-methyl-oxo-λ6-sulfane
CID 164651451
N'-hydroxy-4-[[4-(piperazin-1-ylmethyl)phenyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide
CID 140510666
3-[C-[(4-fluoro-3-methoxyphenyl)methyl]-N-hydroxycarbonimidoyl]-4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazole
CID 157339875
3-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-amine
CID 87053008
5-fluoro-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 156533351
2-methyl-1-(1-methylsulfonylpiperidin-4-yl)guanidine
CID 167193473
6-methoxy-2-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2,3-diamine
CID 115320463
7-chloro-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-4-amine
CID 24632856
1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 24657976
5-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]pyridine-3-carboxamide
CID 95140836

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[[1-(methylsulfonimidoyl)piperidin-4-yl]amino]-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of N'-hydroxy-4-[[1-(methylsulfonimidoyl)piperidin-4-yl]amino]-1,2,5-oxadiazole-3-carboximidamide (CID 166835400) is N'-hydroxy-4-[[1-(methylsulfonimidoyl)piperidin-4-yl]amino]-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[[1-(methylsulfonimidoyl)piperidin-4-yl]amino]-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[[1-(methylsulfonimidoyl)piperidin-4-yl]amino]-1,2,5-oxadiazole-3-carboximidamide is [H]N=S(C)(=O)N1CCC(Nc2nonc2/C(N)=N\O)CC1.
What is the InChIKey of N'-hydroxy-4-[[1-(methylsulfonimidoyl)piperidin-4-yl]amino]-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is VPFUHTVPBBWBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N7O3S/c1-20(11,18)16-4-2-6(3-5-16)12-9-7(8(10)13-17)14-19-15-9/h6,11,17H,2-5H2,1H3,(H2,10,13)(H,12,15).
What are the key properties of N'-hydroxy-4-[[1-(methylsulfonimidoyl)piperidin-4-yl]amino]-1,2,5-oxadiazole-3-carboximidamide?
N'-hydroxy-4-[[1-(methylsulfonimidoyl)piperidin-4-yl]amino]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 303.35 g/mol, XLogP of -0.37, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[[1-(methylsulfonimidoyl)piperidin-4-yl]amino]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 166835400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).