N'-hydroxy-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]pentanimidamide

C9H17N5O3S — CID 77036688

IUPACN'-hydroxy-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]pentanimidamide
SMILESCc1ncc(S(=O)(=O)NCCCCC(N)=NO)[nH]1
InChIInChI=1S/C9H17N5O3S/c1-7-11-6-9(13-7)18(16,17)12-5-3-2-4-8(10)14-15/h6,12,15H,2-5H2,1H3,(H2,10,14)(H,11,13)
InChIKeyDIKUNMTYAOHSQZ-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.09
Rot. Bonds7

About N'-hydroxy-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]pentanimidamide

N'-hydroxy-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]pentanimidamide (PubChem CID 77036688) has the molecular formula C9H17N5O3S and a molecular weight of 275.33 g/mol. Its IUPAC name is N'-hydroxy-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]pentanimidamide
PubChem CID77036688
Molecular FormulaC9H17N5O3S
Molecular Weight275.33 g/mol
Exact Mass275.11
IUPAC NameN'-hydroxy-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]pentanimidamide
SMILESCc1ncc(S(=O)(=O)NCCCCC(N)=NO)[nH]1
InChIInChI=1S/C9H17N5O3S/c1-7-11-6-9(13-7)18(16,17)12-5-3-2-4-8(10)14-15/h6,12,15H,2-5H2,1H3,(H2,10,14)(H,11,13)
InChIKeyDIKUNMTYAOHSQZ-UHFFFAOYSA-N
XLogP-0.09
TPSA133.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113349618
3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxypropanimidamide
CID 77021142
2-methyl-N-[(E)-pent-3-enyl]-1H-imidazole-5-sulfonamide
CID 115897668
N'-hydroxy-5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanimidamide
CID 77036940
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 64531508
4,4-dimethyl-6-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]hexanoic acid
CID 65284923
N-(2-hydroxy-2-methylpropyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 65109036
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 103080924
N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide
CID 77021130
4-[(4-fluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 55102556
2-methyl-N-(3-methylsulfinylbutyl)-1H-imidazole-5-sulfonamide
CID 115897720
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 65231692

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]pentanimidamide (CID 77036688) is N'-hydroxy-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]pentanimidamide is Cc1ncc(S(=O)(=O)NCCCCC(N)=NO)[nH]1.
What is the InChIKey of N'-hydroxy-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]pentanimidamide?
The InChIKey is DIKUNMTYAOHSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3S/c1-7-11-6-9(13-7)18(16,17)12-5-3-2-4-8(10)14-15/h6,12,15H,2-5H2,1H3,(H2,10,14)(H,11,13).
What are the key properties of N'-hydroxy-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]pentanimidamide?
N'-hydroxy-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]pentanimidamide has a molecular weight of 275.33 g/mol, XLogP of -0.09, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]pentanimidamide is sourced from PubChem (CID 77036688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).