N-[2-(bromomethyl)cyclopentyl]-4-methylthiophene-3-carboxamide

C12H16BrNOS — CID 106366208

IUPACN-[2-(bromomethyl)cyclopentyl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NC1CCCC1CBr
InChIInChI=1S/C12H16BrNOS/c1-8-6-16-7-10(8)12(15)14-11-4-2-3-9(11)5-13/h6-7,9,11H,2-5H2,1H3,(H,14,15)
InChIKeyHWDKXTBZQGKLGK-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.35
Rot. Bonds3

About N-[2-(bromomethyl)cyclopentyl]-4-methylthiophene-3-carboxamide

N-[2-(bromomethyl)cyclopentyl]-4-methylthiophene-3-carboxamide (PubChem CID 106366208) has the molecular formula C12H16BrNOS and a molecular weight of 302.24 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-4-methylthiophene-3-carboxamide
PubChem CID106366208
Molecular FormulaC12H16BrNOS
Molecular Weight302.24 g/mol
Exact Mass301.01
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NC1CCCC1CBr
InChIInChI=1S/C12H16BrNOS/c1-8-6-16-7-10(8)12(15)14-11-4-2-3-9(11)5-13/h6-7,9,11H,2-5H2,1H3,(H,14,15)
InChIKeyHWDKXTBZQGKLGK-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.35
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

2-[(4-methylthiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 79803050
5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide
CID 106366608
N-[2-(bromomethyl)cyclopentyl]-2-iodo-3-methylbenzamide
CID 114179537
N-[2-(bromomethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide
CID 114179479
N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide
CID 106366353
N-[2-(bromomethyl)cyclopentyl]-2,4-dihydroxybenzamide
CID 106366292
N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide
CID 106366339
N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide
CID 114179665
N-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide
CID 106366535
2-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 79802782
3-bromo-N-[2-(bromomethyl)cyclopentyl]-5-methylbenzamide
CID 106366494
N-[2-(bromomethyl)cyclopentyl]-3-ethylthiophene-2-carboxamide
CID 106366310

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-4-methylthiophene-3-carboxamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-4-methylthiophene-3-carboxamide (CID 106366208) is N-[2-(bromomethyl)cyclopentyl]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)NC1CCCC1CBr.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-4-methylthiophene-3-carboxamide?
The InChIKey is HWDKXTBZQGKLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS/c1-8-6-16-7-10(8)12(15)14-11-4-2-3-9(11)5-13/h6-7,9,11H,2-5H2,1H3,(H,14,15).
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-4-methylthiophene-3-carboxamide?
N-[2-(bromomethyl)cyclopentyl]-4-methylthiophene-3-carboxamide has a molecular weight of 302.24 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 106366208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).