N'-hydroxy-3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide

C9H17N5O3S — CID 104710482

IUPACN'-hydroxy-3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide
SMILESCCC(CC(N)=NO)NS(=O)(=O)c1ccnn1C
InChIInChI=1S/C9H17N5O3S/c1-3-7(6-8(10)12-15)13-18(16,17)9-4-5-11-14(9)2/h4-5,7,13,15H,3,6H2,1-2H3,(H2,10,12)
InChIKeyHZZRYJPVNMCENI-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.39
Rot. Bonds6

About N'-hydroxy-3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide

N'-hydroxy-3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide (PubChem CID 104710482) has the molecular formula C9H17N5O3S and a molecular weight of 275.33 g/mol. Its IUPAC name is N'-hydroxy-3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide
PubChem CID104710482
Molecular FormulaC9H17N5O3S
Molecular Weight275.33 g/mol
Exact Mass275.11
IUPAC NameN'-hydroxy-3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide
SMILESCCC(CC(N)=NO)NS(=O)(=O)c1ccnn1C
InChIInChI=1S/C9H17N5O3S/c1-3-7(6-8(10)12-15)13-18(16,17)9-4-5-11-14(9)2/h4-5,7,13,15H,3,6H2,1-2H3,(H2,10,12)
InChIKeyHZZRYJPVNMCENI-UHFFFAOYSA-N
XLogP-0.39
TPSA122.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.39
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

3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid
CID 104709744
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyrazole-3-sulfonamide
CID 104773164
N-(1-hydroxypentan-3-yl)-2-methylpyrazole-3-sulfonamide
CID 104773039
N'-hydroxy-3-(1H-pyrazol-5-ylsulfonylamino)pentanimidamide
CID 102693859
N-(1-aminopentan-2-yl)-2-methylpyrazole-3-sulfonamide
CID 104709300
N'-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]pentanimidamide
CID 103007279
N'-hydroxy-3-(1H-pyrazol-4-ylsulfonylamino)pentanimidamide
CID 76947951
3-[(3,4-dimethylphenyl)sulfonylamino]-N'-hydroxypentanimidamide
CID 76947675
N-(1-hydroxypropan-2-yl)-2-methylpyrazole-3-sulfonamide
CID 104710044
3-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid
CID 104709527
N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanimidamide
CID 103415690
N-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride
CID 120713110

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide (CID 104710482) is N'-hydroxy-3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide is CCC(CC(N)=NO)NS(=O)(=O)c1ccnn1C.
What is the InChIKey of N'-hydroxy-3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide?
The InChIKey is HZZRYJPVNMCENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3S/c1-3-7(6-8(10)12-15)13-18(16,17)9-4-5-11-14(9)2/h4-5,7,13,15H,3,6H2,1-2H3,(H2,10,12).
What are the key properties of N'-hydroxy-3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide?
N'-hydroxy-3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide has a molecular weight of 275.33 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide is sourced from PubChem (CID 104710482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).