N-(4-amino-4-hydroxyiminobutan-2-yl)-N,4-dimethylthiophene-3-carboxamide

C11H17N3O2S — CID 79808249

IUPACN-(4-amino-4-hydroxyiminobutan-2-yl)-N,4-dimethylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)N(C)C(C)CC(N)=NO
InChIInChI=1S/C11H17N3O2S/c1-7-5-17-6-9(7)11(15)14(3)8(2)4-10(12)13-16/h5-6,8,16H,4H2,1-3H3,(H2,12,13)
InChIKeyBYKHBWVWGXGGRI-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.65
Rot. Bonds4

About N-(4-amino-4-hydroxyiminobutan-2-yl)-N,4-dimethylthiophene-3-carboxamide

N-(4-amino-4-hydroxyiminobutan-2-yl)-N,4-dimethylthiophene-3-carboxamide (PubChem CID 79808249) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(4-amino-4-hydroxyiminobutan-2-yl)-N,4-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-hydroxyiminobutan-2-yl)-N,4-dimethylthiophene-3-carboxamide
PubChem CID79808249
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-(4-amino-4-hydroxyiminobutan-2-yl)-N,4-dimethylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)N(C)C(C)CC(N)=NO
InChIInChI=1S/C11H17N3O2S/c1-7-5-17-6-9(7)11(15)14(3)8(2)4-10(12)13-16/h5-6,8,16H,4H2,1-3H3,(H2,12,13)
InChIKeyBYKHBWVWGXGGRI-UHFFFAOYSA-N
XLogP1.65
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.65
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-amino-4-hydroxyiminobutan-2-yl)-N,4-dimethylthiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-3-chloro-N,4-dimethylthiophene-2-carboxamide
CID 103405004
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylbenzamide
CID 76987704
N-(4-amino-4-hydroxyiminobutan-2-yl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide
CID 76987520
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,4-dibromo-N-methylbenzamide
CID 107940566
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 77113489
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylthiadiazole-5-carboxamide
CID 77060452
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-hydroxy-N-methylbenzamide
CID 76987839
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethylpyridine-3-carboxamide
CID 77072544
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,2-dimethylpropanamide
CID 76987705
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,4-dimethylthiophene-3-carboxamide
CID 79802021
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 76987605
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-4-propylthiadiazole-5-carboxamide
CID 77059757

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-N,4-dimethylthiophene-3-carboxamide?
The IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-N,4-dimethylthiophene-3-carboxamide (CID 79808249) is N-(4-amino-4-hydroxyiminobutan-2-yl)-N,4-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-(4-amino-4-hydroxyiminobutan-2-yl)-N,4-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-(4-amino-4-hydroxyiminobutan-2-yl)-N,4-dimethylthiophene-3-carboxamide is Cc1cscc1C(=O)N(C)C(C)CC(N)=NO.
What is the InChIKey of N-(4-amino-4-hydroxyiminobutan-2-yl)-N,4-dimethylthiophene-3-carboxamide?
The InChIKey is BYKHBWVWGXGGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-7-5-17-6-9(7)11(15)14(3)8(2)4-10(12)13-16/h5-6,8,16H,4H2,1-3H3,(H2,12,13).
What are the key properties of N-(4-amino-4-hydroxyiminobutan-2-yl)-N,4-dimethylthiophene-3-carboxamide?
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,4-dimethylthiophene-3-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-hydroxyiminobutan-2-yl)-N,4-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 79808249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).