N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-iodothiophene-3-carboxamide

C9H12IN3O2S — CID 79683911

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-iodothiophene-3-carboxamide
SMILESCCN(CC(N)=NO)C(=O)c1csc(I)c1
InChIInChI=1S/C9H12IN3O2S/c1-2-13(4-8(11)12-15)9(14)6-3-7(10)16-5-6/h3,5,15H,2,4H2,1H3,(H2,11,12)
InChIKeyRIWYICWLTKISLA-UHFFFAOYSA-N
MW353.19 g/mol
LogP1.56
Rot. Bonds4

About N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-iodothiophene-3-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-iodothiophene-3-carboxamide (PubChem CID 79683911) has the molecular formula C9H12IN3O2S and a molecular weight of 353.19 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-iodothiophene-3-carboxamide
PubChem CID79683911
Molecular FormulaC9H12IN3O2S
Molecular Weight353.19 g/mol
Exact Mass352.97
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-iodothiophene-3-carboxamide
SMILESCCN(CC(N)=NO)C(=O)c1csc(I)c1
InChIInChI=1S/C9H12IN3O2S/c1-2-13(4-8(11)12-15)9(14)6-3-7(10)16-5-6/h3,5,15H,2,4H2,1H3,(H2,11,12)
InChIKeyRIWYICWLTKISLA-UHFFFAOYSA-N
XLogP1.56
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-(2-amino-2-hydroxyiminoethyl)-N-ethyl-3-iodobenzamide
CID 76929197
5-iodo-N,N-dipropylthiophene-3-carboxamide
CID 78948915
N-(cyanomethyl)-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948475
N-[3-(diethylamino)propyl]-N-ethyl-5-iodothiophene-3-carboxamide
CID 102993520
N-(2-amino-2-hydroxyiminoethyl)-N-ethylnaphthalene-2-carboxamide
CID 76929403
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-methylpyridine-3-carboxamide
CID 77072803
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-5-iodothiophene-3-carboxamide
CID 79683756
N-ethyl-5-iodo-N-(2-phenylethyl)thiophene-3-carboxamide
CID 78948452
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-1,3-benzodioxole-5-carboxamide
CID 76929458
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-ethyl-4-fluoro-3-methoxybenzamide
CID 81284884
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 76929152
N-ethyl-5-iodo-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 79720840

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-iodothiophene-3-carboxamide (CID 79683911) is N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-iodothiophene-3-carboxamide is CCN(CC(N)=NO)C(=O)c1csc(I)c1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-iodothiophene-3-carboxamide?
The InChIKey is RIWYICWLTKISLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O2S/c1-2-13(4-8(11)12-15)9(14)6-3-7(10)16-5-6/h3,5,15H,2,4H2,1H3,(H2,11,12).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-iodothiophene-3-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-iodothiophene-3-carboxamide has a molecular weight of 353.19 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 79683911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).