N'-hydroxy-2-[methyl(thiophen-2-ylsulfonyl)amino]ethanimidamide

C7H11N3O3S2 — CID 76928975

IUPACN'-hydroxy-2-[methyl(thiophen-2-ylsulfonyl)amino]ethanimidamide
SMILESCN(CC(N)=NO)S(=O)(=O)c1cccs1
InChIInChI=1S/C7H11N3O3S2/c1-10(5-6(8)9-11)15(12,13)7-3-2-4-14-7/h2-4,11H,5H2,1H3,(H2,8,9)
InChIKeyXJFZMVIHUFMBRQ-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.12
Rot. Bonds4

About N'-hydroxy-2-[methyl(thiophen-2-ylsulfonyl)amino]ethanimidamide

N'-hydroxy-2-[methyl(thiophen-2-ylsulfonyl)amino]ethanimidamide (PubChem CID 76928975) has the molecular formula C7H11N3O3S2 and a molecular weight of 249.32 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(thiophen-2-ylsulfonyl)amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(thiophen-2-ylsulfonyl)amino]ethanimidamide
PubChem CID76928975
Molecular FormulaC7H11N3O3S2
Molecular Weight249.32 g/mol
Exact Mass249.02
IUPAC NameN'-hydroxy-2-[methyl(thiophen-2-ylsulfonyl)amino]ethanimidamide
SMILESCN(CC(N)=NO)S(=O)(=O)c1cccs1
InChIInChI=1S/C7H11N3O3S2/c1-10(5-6(8)9-11)15(12,13)7-3-2-4-14-7/h2-4,11H,5H2,1H3,(H2,8,9)
InChIKeyXJFZMVIHUFMBRQ-UHFFFAOYSA-N
XLogP0.12
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.12
H-Bond Donors ≤ 52
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

methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 55028782
2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 60668235
N-ethyl-N-methylthiophene-2-sulfonamide;hydrochloride
CID 130616398
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
benzyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 23851783
N,N-bis(2-methoxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 55327809
N-butyl-N-methylthiophene-2-sulfonamide
CID 4992196
N-(2-hydroxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propan-2-ylacetamide
CID 43573487
N-(2-hydroxy-2-methylpropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 65109706
N-(2-hydroxypropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 43418420
N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 63105109

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl(thiophen-2-ylsulfonyl)amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl(thiophen-2-ylsulfonyl)amino]ethanimidamide (CID 76928975) is N'-hydroxy-2-[methyl(thiophen-2-ylsulfonyl)amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(thiophen-2-ylsulfonyl)amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(thiophen-2-ylsulfonyl)amino]ethanimidamide is CN(CC(N)=NO)S(=O)(=O)c1cccs1.
What is the InChIKey of N'-hydroxy-2-[methyl(thiophen-2-ylsulfonyl)amino]ethanimidamide?
The InChIKey is XJFZMVIHUFMBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S2/c1-10(5-6(8)9-11)15(12,13)7-3-2-4-14-7/h2-4,11H,5H2,1H3,(H2,8,9).
What are the key properties of N'-hydroxy-2-[methyl(thiophen-2-ylsulfonyl)amino]ethanimidamide?
N'-hydroxy-2-[methyl(thiophen-2-ylsulfonyl)amino]ethanimidamide has a molecular weight of 249.32 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl(thiophen-2-ylsulfonyl)amino]ethanimidamide is sourced from PubChem (CID 76928975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).