N'-hydroxy-3-(thiophen-2-ylsulfonylamino)butanimidamide

C8H13N3O3S2 — CID 76934852

IUPACN'-hydroxy-3-(thiophen-2-ylsulfonylamino)butanimidamide
SMILESCC(CC(N)=NO)NS(=O)(=O)c1cccs1
InChIInChI=1S/C8H13N3O3S2/c1-6(5-7(9)10-12)11-16(13,14)8-3-2-4-15-8/h2-4,6,11-12H,5H2,1H3,(H2,9,10)
InChIKeyZTPACMXSARBYNF-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.55
Rot. Bonds5

About N'-hydroxy-3-(thiophen-2-ylsulfonylamino)butanimidamide

N'-hydroxy-3-(thiophen-2-ylsulfonylamino)butanimidamide (PubChem CID 76934852) has the molecular formula C8H13N3O3S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N'-hydroxy-3-(thiophen-2-ylsulfonylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(thiophen-2-ylsulfonylamino)butanimidamide
PubChem CID76934852
Molecular FormulaC8H13N3O3S2
Molecular Weight263.34 g/mol
Exact Mass263.04
IUPAC NameN'-hydroxy-3-(thiophen-2-ylsulfonylamino)butanimidamide
SMILESCC(CC(N)=NO)NS(=O)(=O)c1cccs1
InChIInChI=1S/C8H13N3O3S2/c1-6(5-7(9)10-12)11-16(13,14)8-3-2-4-15-8/h2-4,6,11-12H,5H2,1H3,(H2,9,10)
InChIKeyZTPACMXSARBYNF-UHFFFAOYSA-N
XLogP0.55
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.55
H-Bond Donors ≤ 53
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

N-(4-hydroxybutan-2-yl)thiophene-2-sulfonamide
CID 115477913
N'-hydroxy-3-[(2-methylphenyl)sulfonylamino]butanimidamide
CID 77077329
N-(1-methoxypropan-2-yl)thiophene-2-sulfonamide
CID 3781964
(2R,3S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanamide
CID 95567579
N-(4-phenylbutan-2-yl)thiophene-2-sulfonamide
CID 3722193
3-[(2,4-dimethylphenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76934654
N'-hydroxy-2-[methyl(thiophen-2-ylsulfonyl)amino]ethanimidamide
CID 76928975
N'-hydroxy-3-(1-thiophen-2-ylpropylamino)butanimidamide
CID 77031256
N-(1-iodo-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 107860243
N-[1-(1-benzofuran-2-yl)propan-2-yl]thiophene-2-sulfonamide
CID 119104181
N'-hydroxy-3-[(1-methylpyrazol-4-yl)sulfonylamino]butanimidamide
CID 55033286
N-propyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 46820888

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(thiophen-2-ylsulfonylamino)butanimidamide?
The IUPAC name of N'-hydroxy-3-(thiophen-2-ylsulfonylamino)butanimidamide (CID 76934852) is N'-hydroxy-3-(thiophen-2-ylsulfonylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-3-(thiophen-2-ylsulfonylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-3-(thiophen-2-ylsulfonylamino)butanimidamide is CC(CC(N)=NO)NS(=O)(=O)c1cccs1.
What is the InChIKey of N'-hydroxy-3-(thiophen-2-ylsulfonylamino)butanimidamide?
The InChIKey is ZTPACMXSARBYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S2/c1-6(5-7(9)10-12)11-16(13,14)8-3-2-4-15-8/h2-4,6,11-12H,5H2,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-3-(thiophen-2-ylsulfonylamino)butanimidamide?
N'-hydroxy-3-(thiophen-2-ylsulfonylamino)butanimidamide has a molecular weight of 263.34 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(thiophen-2-ylsulfonylamino)butanimidamide is sourced from PubChem (CID 76934852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).