N'-hydroxy-3-[methyl(1H-pyrazol-5-ylsulfonyl)amino]butanimidamide

C8H15N5O3S — CID 102693863

IUPACN'-hydroxy-3-[methyl(1H-pyrazol-5-ylsulfonyl)amino]butanimidamide
SMILESCC(CC(N)=NO)N(C)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H15N5O3S/c1-6(5-7(9)12-14)13(2)17(15,16)8-3-4-10-11-8/h3-4,6,14H,5H2,1-2H3,(H2,9,12)(H,10,11)
InChIKeyPZOBCLNFGZJEDI-UHFFFAOYSA-N
MW261.31 g/mol
LogP-0.44
Rot. Bonds5

About N'-hydroxy-3-[methyl(1H-pyrazol-5-ylsulfonyl)amino]butanimidamide

N'-hydroxy-3-[methyl(1H-pyrazol-5-ylsulfonyl)amino]butanimidamide (PubChem CID 102693863) has the molecular formula C8H15N5O3S and a molecular weight of 261.31 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(1H-pyrazol-5-ylsulfonyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(1H-pyrazol-5-ylsulfonyl)amino]butanimidamide
PubChem CID102693863
Molecular FormulaC8H15N5O3S
Molecular Weight261.31 g/mol
Exact Mass261.09
IUPAC NameN'-hydroxy-3-[methyl(1H-pyrazol-5-ylsulfonyl)amino]butanimidamide
SMILESCC(CC(N)=NO)N(C)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H15N5O3S/c1-6(5-7(9)12-14)13(2)17(15,16)8-3-4-10-11-8/h3-4,6,14H,5H2,1-2H3,(H2,9,12)(H,10,11)
InChIKeyPZOBCLNFGZJEDI-UHFFFAOYSA-N
XLogP-0.44
TPSA124.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
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-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690466
N'-hydroxy-3-(1H-pyrazol-5-ylsulfonylamino)pentanimidamide
CID 102693859
N-methyl-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693435
N'-hydroxy-3-[(4-methoxyphenyl)sulfonyl-methylamino]butanimidamide
CID 76987843
2-[propan-2-yl(1H-pyrazol-5-ylsulfonyl)amino]acetamide
CID 102691712
3-[(4-bromo-2-fluorophenyl)sulfonyl-methylamino]-N'-hydroxybutanimidamide
CID 116529743
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102693125
N'-hydroxy-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide
CID 76987710
3-[diethylsulfamoyl(methyl)amino]-N'-hydroxybutanimidamide
CID 76987881
N'-hydroxy-3-[methyl(methylsulfamoyl)amino]butanimidamide
CID 104978448
3-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxybutanimidamide
CID 76987880
N'-hydroxy-3-[[methyl(1H-pyrazol-5-ylsulfonyl)amino]methyl]benzenecarboximidamide
CID 102693860

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(1H-pyrazol-5-ylsulfonyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(1H-pyrazol-5-ylsulfonyl)amino]butanimidamide (CID 102693863) is N'-hydroxy-3-[methyl(1H-pyrazol-5-ylsulfonyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(1H-pyrazol-5-ylsulfonyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(1H-pyrazol-5-ylsulfonyl)amino]butanimidamide is CC(CC(N)=NO)N(C)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N'-hydroxy-3-[methyl(1H-pyrazol-5-ylsulfonyl)amino]butanimidamide?
The InChIKey is PZOBCLNFGZJEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O3S/c1-6(5-7(9)12-14)13(2)17(15,16)8-3-4-10-11-8/h3-4,6,14H,5H2,1-2H3,(H2,9,12)(H,10,11).
What are the key properties of N'-hydroxy-3-[methyl(1H-pyrazol-5-ylsulfonyl)amino]butanimidamide?
N'-hydroxy-3-[methyl(1H-pyrazol-5-ylsulfonyl)amino]butanimidamide has a molecular weight of 261.31 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(1H-pyrazol-5-ylsulfonyl)amino]butanimidamide is sourced from PubChem (CID 102693863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).