N-(2-amino-2-hydroxyiminoethyl)-5-bromo-N-cyclopentylthiophene-2-carboxamide

C12H16BrN3O2S — CID 77038217

IUPACN-(2-amino-2-hydroxyiminoethyl)-5-bromo-N-cyclopentylthiophene-2-carboxamide
SMILESNC(CN(C(=O)c1ccc(Br)s1)C1CCCC1)=NO
InChIInChI=1S/C12H16BrN3O2S/c13-10-6-5-9(19-10)12(17)16(7-11(14)15-18)8-3-1-2-4-8/h5-6,8,18H,1-4,7H2,(H2,14,15)
InChIKeyIHQKSEAZNOUVTO-UHFFFAOYSA-N
MW346.25 g/mol
LogP2.64
Rot. Bonds4

About N-(2-amino-2-hydroxyiminoethyl)-5-bromo-N-cyclopentylthiophene-2-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-5-bromo-N-cyclopentylthiophene-2-carboxamide (PubChem CID 77038217) has the molecular formula C12H16BrN3O2S and a molecular weight of 346.25 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-5-bromo-N-cyclopentylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-5-bromo-N-cyclopentylthiophene-2-carboxamide
PubChem CID77038217
Molecular FormulaC12H16BrN3O2S
Molecular Weight346.25 g/mol
Exact Mass345.01
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-5-bromo-N-cyclopentylthiophene-2-carboxamide
SMILESNC(CN(C(=O)c1ccc(Br)s1)C1CCCC1)=NO
InChIInChI=1S/C12H16BrN3O2S/c13-10-6-5-9(19-10)12(17)16(7-11(14)15-18)8-3-1-2-4-8/h5-6,8,18H,1-4,7H2,(H2,14,15)
InChIKeyIHQKSEAZNOUVTO-UHFFFAOYSA-N
XLogP2.64
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 52.64
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'}

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Related Compounds

N-(2-amino-2-hydroxyiminoethyl)-5-chloro-N-cyclopentylthiophene-2-carboxamide
CID 77044861
5-bromo-N-(2-bromoethyl)-N-cyclopentylthiophene-2-carboxamide
CID 80659510
N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentylbenzamide
CID 77044705
5-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 113221746
N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-chloro-N-cyclopentylbenzamide
CID 77044484
N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentyl-5-fluorobenzamide
CID 77038165
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylpyrimidine-5-carboxamide
CID 102922552
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 77044866
5-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide
CID 106626893
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-6-methylpyridine-2-carboxamide
CID 77044653
N-(4-aminocyclohexyl)-5-bromo-N-propylthiophene-2-carboxamide
CID 79111791
N-(2-amino-2-hydroxyiminoethyl)-5-chloro-N-cyclopentyl-2-hydroxybenzamide
CID 77038093

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-5-bromo-N-cyclopentylthiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-5-bromo-N-cyclopentylthiophene-2-carboxamide (CID 77038217) is N-(2-amino-2-hydroxyiminoethyl)-5-bromo-N-cyclopentylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-5-bromo-N-cyclopentylthiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-5-bromo-N-cyclopentylthiophene-2-carboxamide is NC(CN(C(=O)c1ccc(Br)s1)C1CCCC1)=NO.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-5-bromo-N-cyclopentylthiophene-2-carboxamide?
The InChIKey is IHQKSEAZNOUVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2S/c13-10-6-5-9(19-10)12(17)16(7-11(14)15-18)8-3-1-2-4-8/h5-6,8,18H,1-4,7H2,(H2,14,15).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-5-bromo-N-cyclopentylthiophene-2-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-5-bromo-N-cyclopentylthiophene-2-carboxamide has a molecular weight of 346.25 g/mol, XLogP of 2.64, 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)-5-bromo-N-cyclopentylthiophene-2-carboxamide is sourced from PubChem (CID 77038217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).