N'-hydroxy-3-(1H-pyrazol-5-ylsulfonylamino)pentanimidamide

C8H15N5O3S — CID 102693859

IUPACN'-hydroxy-3-(1H-pyrazol-5-ylsulfonylamino)pentanimidamide
SMILESCCC(CC(N)=NO)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H15N5O3S/c1-2-6(5-7(9)12-14)13-17(15,16)8-3-4-10-11-8/h3-4,6,13-14H,2,5H2,1H3,(H2,9,12)(H,10,11)
InChIKeyLGOPUSZBYNXTOZ-UHFFFAOYSA-N
MW261.31 g/mol
LogP-0.40
Rot. Bonds6

About N'-hydroxy-3-(1H-pyrazol-5-ylsulfonylamino)pentanimidamide

N'-hydroxy-3-(1H-pyrazol-5-ylsulfonylamino)pentanimidamide (PubChem CID 102693859) has the molecular formula C8H15N5O3S and a molecular weight of 261.31 g/mol. Its IUPAC name is N'-hydroxy-3-(1H-pyrazol-5-ylsulfonylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(1H-pyrazol-5-ylsulfonylamino)pentanimidamide
PubChem CID102693859
Molecular FormulaC8H15N5O3S
Molecular Weight261.31 g/mol
Exact Mass261.09
IUPAC NameN'-hydroxy-3-(1H-pyrazol-5-ylsulfonylamino)pentanimidamide
SMILESCCC(CC(N)=NO)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H15N5O3S/c1-2-6(5-7(9)12-14)13-17(15,16)8-3-4-10-11-8/h3-4,6,13-14H,2,5H2,1H3,(H2,9,12)(H,10,11)
InChIKeyLGOPUSZBYNXTOZ-UHFFFAOYSA-N
XLogP-0.40
TPSA133.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 102693399
N'-hydroxy-3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide
CID 104710482
N'-hydroxy-3-[methyl(1H-pyrazol-5-ylsulfonyl)amino]butanimidamide
CID 102693863
N'-hydroxy-3-(1H-pyrazol-4-ylsulfonylamino)pentanimidamide
CID 76947951
3-(1H-pyrazol-5-ylsulfonylamino)butanamide
CID 102693407
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693054
3-[(3,4-dimethylphenyl)sulfonylamino]-N'-hydroxypentanimidamide
CID 76947675
N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanimidamide
CID 103415690
N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide
CID 102691097
3-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-N'-hydroxypentanimidamide
CID 103089471
N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
CID 102692933
N'-hydroxy-2,2-dimethyl-3-(1H-pyrazol-5-ylsulfonylamino)propanimidamide
CID 102693887

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(1H-pyrazol-5-ylsulfonylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-3-(1H-pyrazol-5-ylsulfonylamino)pentanimidamide (CID 102693859) is N'-hydroxy-3-(1H-pyrazol-5-ylsulfonylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-(1H-pyrazol-5-ylsulfonylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-3-(1H-pyrazol-5-ylsulfonylamino)pentanimidamide is CCC(CC(N)=NO)NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N'-hydroxy-3-(1H-pyrazol-5-ylsulfonylamino)pentanimidamide?
The InChIKey is LGOPUSZBYNXTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O3S/c1-2-6(5-7(9)12-14)13-17(15,16)8-3-4-10-11-8/h3-4,6,13-14H,2,5H2,1H3,(H2,9,12)(H,10,11).
What are the key properties of N'-hydroxy-3-(1H-pyrazol-5-ylsulfonylamino)pentanimidamide?
N'-hydroxy-3-(1H-pyrazol-5-ylsulfonylamino)pentanimidamide has a molecular weight of 261.31 g/mol, XLogP of -0.40, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(1H-pyrazol-5-ylsulfonylamino)pentanimidamide is sourced from PubChem (CID 102693859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).