N'-hydroxy-5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanimidamide

C9H17N5O3S — CID 77036940

IUPACN'-hydroxy-5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanimidamide
SMILESCn1cc(S(=O)(=O)NCCCCC(N)=NO)cn1
InChIInChI=1S/C9H17N5O3S/c1-14-7-8(6-11-14)18(16,17)12-5-3-2-4-9(10)13-15/h6-7,12,15H,2-5H2,1H3,(H2,10,13)
InChIKeyDQAIGYMELFUUQS-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.38
Rot. Bonds7

About N'-hydroxy-5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanimidamide

N'-hydroxy-5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanimidamide (PubChem CID 77036940) has the molecular formula C9H17N5O3S and a molecular weight of 275.33 g/mol. Its IUPAC name is N'-hydroxy-5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanimidamide
PubChem CID77036940
Molecular FormulaC9H17N5O3S
Molecular Weight275.33 g/mol
Exact Mass275.11
IUPAC NameN'-hydroxy-5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanimidamide
SMILESCn1cc(S(=O)(=O)NCCCCC(N)=NO)cn1
InChIInChI=1S/C9H17N5O3S/c1-14-7-8(6-11-14)18(16,17)12-5-3-2-4-9(10)13-15/h6-7,12,15H,2-5H2,1H3,(H2,10,13)
InChIKeyDQAIGYMELFUUQS-UHFFFAOYSA-N
XLogP-0.38
TPSA122.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 62033979
4-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43361171
N-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide
CID 107849199
N-(5-iodopentyl)-1-methylpyrazole-4-sulfonamide
CID 107322883
N'-hydroxy-3-[(1-methylpyrazol-4-yl)sulfonylamino]butanimidamide
CID 55033286
N'-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]pentanimidamide
CID 77030608
1-methyl-N-(2-sulfamoylethyl)pyrazole-4-sulfonamide
CID 62063368
N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide
CID 62062630
N'-hydroxy-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]pentanimidamide
CID 77036688
2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride
CID 81358188
5-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypentanimidamide
CID 77036767
N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 113285935

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanimidamide (CID 77036940) is N'-hydroxy-5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanimidamide is Cn1cc(S(=O)(=O)NCCCCC(N)=NO)cn1.
What is the InChIKey of N'-hydroxy-5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanimidamide?
The InChIKey is DQAIGYMELFUUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3S/c1-14-7-8(6-11-14)18(16,17)12-5-3-2-4-9(10)13-15/h6-7,12,15H,2-5H2,1H3,(H2,10,13).
What are the key properties of N'-hydroxy-5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanimidamide?
N'-hydroxy-5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanimidamide has a molecular weight of 275.33 g/mol, XLogP of -0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanimidamide is sourced from PubChem (CID 77036940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).