N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-bromothiophene-2-carboxamide

C10H14BrN3O2S — CID 77039223

IUPACN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-bromothiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1sccc1Br)C(N)=NO
InChIInChI=1S/C10H14BrN3O2S/c1-5(2)7(9(12)14-16)13-10(15)8-6(11)3-4-17-8/h3-5,7,16H,1-2H3,(H2,12,14)(H,13,15)
InChIKeyIVNHHFNQXCQHTE-UHFFFAOYSA-N
MW320.21 g/mol
LogP2.01
Rot. Bonds4

About N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-bromothiophene-2-carboxamide

N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-bromothiophene-2-carboxamide (PubChem CID 77039223) has the molecular formula C10H14BrN3O2S and a molecular weight of 320.21 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-bromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-bromothiophene-2-carboxamide
PubChem CID77039223
Molecular FormulaC10H14BrN3O2S
Molecular Weight320.21 g/mol
Exact Mass319.00
IUPAC NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-bromothiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1sccc1Br)C(N)=NO
InChIInChI=1S/C10H14BrN3O2S/c1-5(2)7(9(12)14-16)13-10(15)8-6(11)3-4-17-8/h3-5,7,16H,1-2H3,(H2,12,14)(H,13,15)
InChIKeyIVNHHFNQXCQHTE-UHFFFAOYSA-N
XLogP2.01
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 52.01
H-Bond Donors ≤ 53
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-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-bromothiophene-2-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-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]-3-bromo-4-chlorobenzamide
CID 107992517
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4-bromo-2-hydroxybenzamide
CID 77038937
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-bromopyridine-2-carboxamide
CID 77038852
3-bromo-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide
CID 47234202
3-bromo-N-(1-chloro-4-methylpentan-3-yl)thiophene-2-carboxamide
CID 106354869
methyl 2-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoate
CID 80641746
N-(1-aminobutan-2-yl)-3-bromothiophene-2-carboxamide
CID 65193512
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methylpyrazole-3-carboxamide
CID 77039413
methyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-methylpentanoate
CID 47234037
3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide
CID 64596699
3-bromo-N-[(2S,4R)-4-methylhexan-2-yl]thiophene-2-carboxamide
CID 97053966
3-bromo-N-[(2R,4S)-4-methylhexan-2-yl]thiophene-2-carboxamide
CID 97053965

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-bromothiophene-2-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-bromothiophene-2-carboxamide (CID 77039223) is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-bromothiophene-2-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-bromothiophene-2-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-bromothiophene-2-carboxamide is CC(C)C(NC(=O)c1sccc1Br)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-bromothiophene-2-carboxamide?
The InChIKey is IVNHHFNQXCQHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2S/c1-5(2)7(9(12)14-16)13-10(15)8-6(11)3-4-17-8/h3-5,7,16H,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-bromothiophene-2-carboxamide?
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-bromothiophene-2-carboxamide has a molecular weight of 320.21 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-bromothiophene-2-carboxamide is sourced from PubChem (CID 77039223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).