N-amino-3-bromo-N'-cyclohexylthiophene-2-carboximidamide

C11H16BrN3S — CID 63796658

IUPACN-amino-3-bromo-N'-cyclohexylthiophene-2-carboximidamide
SMILESNN/C(=N\C1CCCCC1)c1sccc1Br
InChIInChI=1S/C11H16BrN3S/c12-9-6-7-16-10(9)11(15-13)14-8-4-2-1-3-5-8/h6-8H,1-5,13H2,(H,14,15)
InChIKeyFRYCVDDYEFBHMN-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.05
Rot. Bonds2

About N-amino-3-bromo-N'-cyclohexylthiophene-2-carboximidamide

N-amino-3-bromo-N'-cyclohexylthiophene-2-carboximidamide (PubChem CID 63796658) has the molecular formula C11H16BrN3S and a molecular weight of 302.24 g/mol. Its IUPAC name is N-amino-3-bromo-N'-cyclohexylthiophene-2-carboximidamide.

Molecular Properties

Compound NameN-amino-3-bromo-N'-cyclohexylthiophene-2-carboximidamide
PubChem CID63796658
Molecular FormulaC11H16BrN3S
Molecular Weight302.24 g/mol
Exact Mass301.02
IUPAC NameN-amino-3-bromo-N'-cyclohexylthiophene-2-carboximidamide
SMILESNN/C(=N\C1CCCCC1)c1sccc1Br
InChIInChI=1S/C11H16BrN3S/c12-9-6-7-16-10(9)11(15-13)14-8-4-2-1-3-5-8/h6-8H,1-5,13H2,(H,14,15)
InChIKeyFRYCVDDYEFBHMN-UHFFFAOYSA-N
XLogP3.05
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-amino-3-bromo-N'-cyclohexylthiophene-2-carboximidamide 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-amino-4-bromo-N'-cyclohexylbenzenecarboximidamide
CID 61363305
N-amino-2-bromo-N'-cyclopropylthiophene-3-carboximidamide
CID 164662337
N-amino-4,5-dibromo-N'-cycloheptylthiophene-2-carboximidamide
CID 80538901
N-amino-N'-cyclohexylthieno[3,2-b]thiophene-5-carboximidamide
CID 80745333
N-amino-4,5-dibromo-N'-cyclopentylthiophene-2-carboximidamide
CID 80538881
N-amino-4-bromo-3-chloro-N'-cyclohexylbenzenecarboximidamide
CID 81307820
N-amino-N'-cycloheptylpyridine-4-carboximidamide
CID 61361751
N-amino-N'-cyclohexyl-5-iodothiophene-3-carboximidamide
CID 79684408
N-amino-N'-cyclopentyl-4-fluorobenzenecarboximidamide
CID 61362919
N-amino-3-bromo-N'-cycloheptyl-5-fluorobenzenecarboximidamide
CID 61360532
N-amino-3,4-dichloro-N'-cyclohexylbenzenecarboximidamide
CID 61361117
N-amino-N'-cyclohexyl-4-propan-2-ylbenzenecarboximidamide
CID 61361536

Frequently Asked Questions

What is the IUPAC name of N-amino-3-bromo-N'-cyclohexylthiophene-2-carboximidamide?
The IUPAC name of N-amino-3-bromo-N'-cyclohexylthiophene-2-carboximidamide (CID 63796658) is N-amino-3-bromo-N'-cyclohexylthiophene-2-carboximidamide.
What is the SMILES notation for N-amino-3-bromo-N'-cyclohexylthiophene-2-carboximidamide?
The canonical SMILES for N-amino-3-bromo-N'-cyclohexylthiophene-2-carboximidamide is NN/C(=N\C1CCCCC1)c1sccc1Br.
What is the InChIKey of N-amino-3-bromo-N'-cyclohexylthiophene-2-carboximidamide?
The InChIKey is FRYCVDDYEFBHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3S/c12-9-6-7-16-10(9)11(15-13)14-8-4-2-1-3-5-8/h6-8H,1-5,13H2,(H,14,15).
What are the key properties of N-amino-3-bromo-N'-cyclohexylthiophene-2-carboximidamide?
N-amino-3-bromo-N'-cyclohexylthiophene-2-carboximidamide has a molecular weight of 302.24 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-bromo-N'-cyclohexylthiophene-2-carboximidamide is sourced from PubChem (CID 63796658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).