N'-hydroxy-2,2-dimethyl-3-(1H-pyrazol-5-ylsulfonylamino)propanimidamide

C8H15N5O3S — CID 102693887

IUPACN'-hydroxy-2,2-dimethyl-3-(1H-pyrazol-5-ylsulfonylamino)propanimidamide
SMILESCC(C)(CNS(=O)(=O)c1ccn[nH]1)C(N)=NO
InChIInChI=1S/C8H15N5O3S/c1-8(2,7(9)13-14)5-11-17(15,16)6-3-4-10-12-6/h3-4,11,14H,5H2,1-2H3,(H2,9,13)(H,10,12)
InChIKeyXOIYOULSTBDXQL-UHFFFAOYSA-N
MW261.31 g/mol
LogP-0.54
Rot. Bonds5

About N'-hydroxy-2,2-dimethyl-3-(1H-pyrazol-5-ylsulfonylamino)propanimidamide

N'-hydroxy-2,2-dimethyl-3-(1H-pyrazol-5-ylsulfonylamino)propanimidamide (PubChem CID 102693887) has the molecular formula C8H15N5O3S and a molecular weight of 261.31 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-3-(1H-pyrazol-5-ylsulfonylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-3-(1H-pyrazol-5-ylsulfonylamino)propanimidamide
PubChem CID102693887
Molecular FormulaC8H15N5O3S
Molecular Weight261.31 g/mol
Exact Mass261.09
IUPAC NameN'-hydroxy-2,2-dimethyl-3-(1H-pyrazol-5-ylsulfonylamino)propanimidamide
SMILESCC(C)(CNS(=O)(=O)c1ccn[nH]1)C(N)=NO
InChIInChI=1S/C8H15N5O3S/c1-8(2,7(9)13-14)5-11-17(15,16)6-3-4-10-12-6/h3-4,11,14H,5H2,1-2H3,(H2,9,13)(H,10,12)
InChIKeyXOIYOULSTBDXQL-UHFFFAOYSA-N
XLogP-0.54
TPSA133.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 5-0.54
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'-hydroxy-2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanimidamide
CID 104873862
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-pyrazole-5-sulfonamide
CID 106245543
N-(1-amino-2-methylpropan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102690411
3-(1H-pyrazol-5-ylsulfonylamino)propanethioamide
CID 102691194
N-(2-amino-4,4-dimethylpentyl)-1H-pyrazole-5-sulfonamide
CID 107158984
N'-hydroxy-3-(1H-pyrazol-5-ylsulfonylamino)pentanimidamide
CID 102693859
N'-hydroxy-2,2-dimethyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanimidamide
CID 104873854
N-[(2R)-2-hydroxypropyl]-1H-pyrazole-5-sulfonamide
CID 102693499
2-(1H-pyrazol-5-ylsulfonylamino)acetic acid
CID 102690627
N-(3-methyl-2-oxobutyl)-1H-pyrazole-5-sulfonamide
CID 102691239
3-(1H-pyrazol-5-ylsulfonylamino)butanamide
CID 102693407
N-(pyridazin-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106897420

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-3-(1H-pyrazol-5-ylsulfonylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-3-(1H-pyrazol-5-ylsulfonylamino)propanimidamide (CID 102693887) is N'-hydroxy-2,2-dimethyl-3-(1H-pyrazol-5-ylsulfonylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-3-(1H-pyrazol-5-ylsulfonylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-3-(1H-pyrazol-5-ylsulfonylamino)propanimidamide is CC(C)(CNS(=O)(=O)c1ccn[nH]1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-3-(1H-pyrazol-5-ylsulfonylamino)propanimidamide?
The InChIKey is XOIYOULSTBDXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O3S/c1-8(2,7(9)13-14)5-11-17(15,16)6-3-4-10-12-6/h3-4,11,14H,5H2,1-2H3,(H2,9,13)(H,10,12).
What are the key properties of N'-hydroxy-2,2-dimethyl-3-(1H-pyrazol-5-ylsulfonylamino)propanimidamide?
N'-hydroxy-2,2-dimethyl-3-(1H-pyrazol-5-ylsulfonylamino)propanimidamide has a molecular weight of 261.31 g/mol, XLogP of -0.54, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-3-(1H-pyrazol-5-ylsulfonylamino)propanimidamide is sourced from PubChem (CID 102693887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).