N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanimidamide

C9H16N4O3S2 — CID 103415690

IUPACN'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanimidamide
SMILESCCC(CC(N)=NO)NS(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C9H16N4O3S2/c1-3-7(4-8(10)12-14)13-18(15,16)9-5-11-6(2)17-9/h5,7,13-14H,3-4H2,1-2H3,(H2,10,12)
InChIKeyLPSFQTWQAOJCAY-UHFFFAOYSA-N
MW292.39 g/mol
LogP0.64
Rot. Bonds6

About N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanimidamide

N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanimidamide (PubChem CID 103415690) has the molecular formula C9H16N4O3S2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanimidamide
PubChem CID103415690
Molecular FormulaC9H16N4O3S2
Molecular Weight292.39 g/mol
Exact Mass292.07
IUPAC NameN'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanimidamide
SMILESCCC(CC(N)=NO)NS(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C9H16N4O3S2/c1-3-7(4-8(10)12-14)13-18(15,16)9-5-11-6(2)17-9/h5,7,13-14H,3-4H2,1-2H3,(H2,10,12)
InChIKeyLPSFQTWQAOJCAY-UHFFFAOYSA-N
XLogP0.64
TPSA117.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 50.64
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

N-(1-bromobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416070
N-(1-bromopentan-3-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416148
N-(1-cyanobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 104694078
N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentanimidamide
CID 77031820
N'-hydroxy-3-(1H-pyrazol-4-ylsulfonylamino)pentanimidamide
CID 76947951
3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N'-hydroxypentanimidamide
CID 55101688
N'-hydroxy-3-(1H-pyrazol-5-ylsulfonylamino)pentanimidamide
CID 102693859
3-[(3,4-dimethylphenyl)sulfonylamino]-N'-hydroxypentanimidamide
CID 76947675
N'-hydroxy-3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide
CID 104710482
N-(2-hydroxybutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414895
N-(1-bromopropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416028
N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboximidamide
CID 103415692

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanimidamide (CID 103415690) is N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanimidamide is CCC(CC(N)=NO)NS(=O)(=O)c1cnc(C)s1.
What is the InChIKey of N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanimidamide?
The InChIKey is LPSFQTWQAOJCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S2/c1-3-7(4-8(10)12-14)13-18(15,16)9-5-11-6(2)17-9/h5,7,13-14H,3-4H2,1-2H3,(H2,10,12).
What are the key properties of N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanimidamide?
N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanimidamide has a molecular weight of 292.39 g/mol, XLogP of 0.64, 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-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanimidamide is sourced from PubChem (CID 103415690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).