5-bromo-N-[2-(bromomethyl)cyclohexyl]thiophene-3-carboxamide

C12H15Br2NOS — CID 106367206

IUPAC5-bromo-N-[2-(bromomethyl)cyclohexyl]thiophene-3-carboxamide
SMILESO=C(NC1CCCCC1CBr)c1csc(Br)c1
InChIInChI=1S/C12H15Br2NOS/c13-6-8-3-1-2-4-10(8)15-12(16)9-5-11(14)17-7-9/h5,7-8,10H,1-4,6H2,(H,15,16)
InChIKeyOSYLWOOYOJUGOH-UHFFFAOYSA-N
MW381.13 g/mol
LogP4.19
Rot. Bonds3

About 5-bromo-N-[2-(bromomethyl)cyclohexyl]thiophene-3-carboxamide

5-bromo-N-[2-(bromomethyl)cyclohexyl]thiophene-3-carboxamide (PubChem CID 106367206) has the molecular formula C12H15Br2NOS and a molecular weight of 381.13 g/mol. Its IUPAC name is 5-bromo-N-[2-(bromomethyl)cyclohexyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(bromomethyl)cyclohexyl]thiophene-3-carboxamide
PubChem CID106367206
Molecular FormulaC12H15Br2NOS
Molecular Weight381.13 g/mol
Exact Mass378.92
IUPAC Name5-bromo-N-[2-(bromomethyl)cyclohexyl]thiophene-3-carboxamide
SMILESO=C(NC1CCCCC1CBr)c1csc(Br)c1
InChIInChI=1S/C12H15Br2NOS/c13-6-8-3-1-2-4-10(8)15-12(16)9-5-11(14)17-7-9/h5,7-8,10H,1-4,6H2,(H,15,16)
InChIKeyOSYLWOOYOJUGOH-UHFFFAOYSA-N
XLogP4.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.13
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(bromomethyl)cyclohexyl]-3-hydroxybenzamide
CID 106367295
5-bromo-N-(2-cyanocyclopentyl)thiophene-3-carboxamide
CID 62962185
N-[2-(bromomethyl)cyclohexyl]pyridine-4-carboxamide
CID 106367080
N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide
CID 114179665
3-bromo-N-[2-(bromomethyl)cyclopentyl]-5-methylbenzamide
CID 106366494
N-[2-(aminomethyl)cyclohexyl]-5-iodothiophene-3-carboxamide
CID 79692726
3-bromo-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103798593
N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 106367297
N-[2-(bromomethyl)cyclohexyl]pyridazine-4-carboxamide
CID 106367322
5-bromo-N-(2,4-dimethylcyclohexyl)thiophene-3-carboxamide
CID 63999980
5-bromo-N-[(2-bromocyclopentyl)methyl]thiophene-3-carboxamide
CID 107966151
N-[2-(bromomethyl)cyclopentyl]-4-propan-2-ylbenzamide
CID 114179456

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(bromomethyl)cyclohexyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(bromomethyl)cyclohexyl]thiophene-3-carboxamide (CID 106367206) is 5-bromo-N-[2-(bromomethyl)cyclohexyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(bromomethyl)cyclohexyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(bromomethyl)cyclohexyl]thiophene-3-carboxamide is O=C(NC1CCCCC1CBr)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(bromomethyl)cyclohexyl]thiophene-3-carboxamide?
The InChIKey is OSYLWOOYOJUGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NOS/c13-6-8-3-1-2-4-10(8)15-12(16)9-5-11(14)17-7-9/h5,7-8,10H,1-4,6H2,(H,15,16).
What are the key properties of 5-bromo-N-[2-(bromomethyl)cyclohexyl]thiophene-3-carboxamide?
5-bromo-N-[2-(bromomethyl)cyclohexyl]thiophene-3-carboxamide has a molecular weight of 381.13 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(bromomethyl)cyclohexyl]thiophene-3-carboxamide is sourced from PubChem (CID 106367206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).