N'-hydroxy-3-[(1-methylpyrazol-4-yl)sulfonylamino]butanimidamide

C8H15N5O3S — CID 55033286

IUPACN'-hydroxy-3-[(1-methylpyrazol-4-yl)sulfonylamino]butanimidamide
SMILESCC(C/C(N)=N/O)NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C8H15N5O3S/c1-6(3-8(9)11-14)12-17(15,16)7-4-10-13(2)5-7/h4-6,12,14H,3H2,1-2H3,(H2,9,11)
InChIKeyBOPINFQAOGGISH-UHFFFAOYSA-N
MW261.31 g/mol
LogP-0.78
Rot. Bonds5

About N'-hydroxy-3-[(1-methylpyrazol-4-yl)sulfonylamino]butanimidamide

N'-hydroxy-3-[(1-methylpyrazol-4-yl)sulfonylamino]butanimidamide (PubChem CID 55033286) has the molecular formula C8H15N5O3S and a molecular weight of 261.31 g/mol. Its IUPAC name is N'-hydroxy-3-[(1-methylpyrazol-4-yl)sulfonylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(1-methylpyrazol-4-yl)sulfonylamino]butanimidamide
PubChem CID55033286
Molecular FormulaC8H15N5O3S
Molecular Weight261.31 g/mol
Exact Mass261.09
IUPAC NameN'-hydroxy-3-[(1-methylpyrazol-4-yl)sulfonylamino]butanimidamide
SMILESCC(C/C(N)=N/O)NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C8H15N5O3S/c1-6(3-8(9)11-14)12-17(15,16)7-4-10-13(2)5-7/h4-6,12,14H,3H2,1-2H3,(H2,9,11)
InChIKeyBOPINFQAOGGISH-UHFFFAOYSA-N
XLogP-0.78
TPSA122.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanimidamide
CID 77036940
(2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanedioic acid
CID 113226185
4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 43172812
(2S)-4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 61154150
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methylpyrazole-4-sulfonamide
CID 103861135
N,N-dimethyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 47034944
3-[(2,4-dimethylphenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76934654
N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride
CID 119469373
N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide
CID 65033783
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide
CID 124759808
N'-hydroxy-3-(thiophen-2-ylsulfonylamino)butanimidamide
CID 76934852
(2S)-4-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 104935052

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(1-methylpyrazol-4-yl)sulfonylamino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[(1-methylpyrazol-4-yl)sulfonylamino]butanimidamide (CID 55033286) is N'-hydroxy-3-[(1-methylpyrazol-4-yl)sulfonylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(1-methylpyrazol-4-yl)sulfonylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[(1-methylpyrazol-4-yl)sulfonylamino]butanimidamide is CC(C/C(N)=N/O)NS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N'-hydroxy-3-[(1-methylpyrazol-4-yl)sulfonylamino]butanimidamide?
The InChIKey is BOPINFQAOGGISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O3S/c1-6(3-8(9)11-14)12-17(15,16)7-4-10-13(2)5-7/h4-6,12,14H,3H2,1-2H3,(H2,9,11).
What are the key properties of N'-hydroxy-3-[(1-methylpyrazol-4-yl)sulfonylamino]butanimidamide?
N'-hydroxy-3-[(1-methylpyrazol-4-yl)sulfonylamino]butanimidamide has a molecular weight of 261.31 g/mol, XLogP of -0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(1-methylpyrazol-4-yl)sulfonylamino]butanimidamide is sourced from PubChem (CID 55033286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).