N'-hydroxy-2-(1H-imidazol-5-ylsulfonylamino)pentanimidamide

C8H15N5O3S — CID 77021293

IUPACN'-hydroxy-2-(1H-imidazol-5-ylsulfonylamino)pentanimidamide
SMILESCCCC(NS(=O)(=O)c1cnc[nH]1)C(N)=NO
InChIInChI=1S/C8H15N5O3S/c1-2-3-6(8(9)12-14)13-17(15,16)7-4-10-5-11-7/h4-6,13-14H,2-3H2,1H3,(H2,9,12)(H,10,11)
InChIKeyLXYSQWBXQBVCHE-UHFFFAOYSA-N
MW261.31 g/mol
LogP-0.40
Rot. Bonds6

About N'-hydroxy-2-(1H-imidazol-5-ylsulfonylamino)pentanimidamide

N'-hydroxy-2-(1H-imidazol-5-ylsulfonylamino)pentanimidamide (PubChem CID 77021293) has the molecular formula C8H15N5O3S and a molecular weight of 261.31 g/mol. Its IUPAC name is N'-hydroxy-2-(1H-imidazol-5-ylsulfonylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(1H-imidazol-5-ylsulfonylamino)pentanimidamide
PubChem CID77021293
Molecular FormulaC8H15N5O3S
Molecular Weight261.31 g/mol
Exact Mass261.09
IUPAC NameN'-hydroxy-2-(1H-imidazol-5-ylsulfonylamino)pentanimidamide
SMILESCCCC(NS(=O)(=O)c1cnc[nH]1)C(N)=NO
InChIInChI=1S/C8H15N5O3S/c1-2-3-6(8(9)12-14)13-17(15,16)7-4-10-5-11-7/h4-6,13-14H,2-3H2,1H3,(H2,9,12)(H,10,11)
InChIKeyLXYSQWBXQBVCHE-UHFFFAOYSA-N
XLogP-0.40
TPSA133.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 5-0.40
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

2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N'-hydroxypentanimidamide
CID 107328387
N-(3-oxopentan-2-yl)-1H-imidazole-5-sulfonamide
CID 64994110
2-(1H-imidazol-5-ylsulfonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786144
N-pent-1-yn-3-yl-1H-imidazole-5-sulfonamide
CID 106898626
N-pent-4-yn-2-yl-1H-imidazole-5-sulfonamide
CID 115662723
N-(4-amino-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide
CID 106153872
N-(1-amino-3-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide
CID 106181220
tert-butyl (2R)-2-(1H-imidazol-5-ylsulfonylamino)propanoate
CID 81005469
N-(4-bromo-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide
CID 106158527
N-(2-amino-3-ethylpentyl)-1H-imidazole-5-sulfonamide
CID 114168541
N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide
CID 104594035
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 103943314

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(1H-imidazol-5-ylsulfonylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-2-(1H-imidazol-5-ylsulfonylamino)pentanimidamide (CID 77021293) is N'-hydroxy-2-(1H-imidazol-5-ylsulfonylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-2-(1H-imidazol-5-ylsulfonylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-2-(1H-imidazol-5-ylsulfonylamino)pentanimidamide is CCCC(NS(=O)(=O)c1cnc[nH]1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(1H-imidazol-5-ylsulfonylamino)pentanimidamide?
The InChIKey is LXYSQWBXQBVCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O3S/c1-2-3-6(8(9)12-14)13-17(15,16)7-4-10-5-11-7/h4-6,13-14H,2-3H2,1H3,(H2,9,12)(H,10,11).
What are the key properties of N'-hydroxy-2-(1H-imidazol-5-ylsulfonylamino)pentanimidamide?
N'-hydroxy-2-(1H-imidazol-5-ylsulfonylamino)pentanimidamide has a molecular weight of 261.31 g/mol, XLogP of -0.40, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(1H-imidazol-5-ylsulfonylamino)pentanimidamide is sourced from PubChem (CID 77021293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).