5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide

C12H15Br2NOS — CID 115364247

IUPAC5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1(CBr)CCCC1)c1ccc(Br)s1
InChIInChI=1S/C12H15Br2NOS/c13-7-12(5-1-2-6-12)8-15-11(16)9-3-4-10(14)17-9/h3-4H,1-2,5-8H2,(H,15,16)
InChIKeyBBAZNUGVVOUEDB-UHFFFAOYSA-N
MW381.13 g/mol
LogP4.20
Rot. Bonds4

About 5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide

5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide (PubChem CID 115364247) has the molecular formula C12H15Br2NOS and a molecular weight of 381.13 g/mol. Its IUPAC name is 5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
PubChem CID115364247
Molecular FormulaC12H15Br2NOS
Molecular Weight381.13 g/mol
Exact Mass378.92
IUPAC Name5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1(CBr)CCCC1)c1ccc(Br)s1
InChIInChI=1S/C12H15Br2NOS/c13-7-12(5-1-2-6-12)8-15-11(16)9-3-4-10(14)17-9/h3-4H,1-2,5-8H2,(H,15,16)
InChIKeyBBAZNUGVVOUEDB-UHFFFAOYSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.13
LogP ≤ 54.20
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

5-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 115271454
N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 115364345
5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide
CID 107271657
5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-carboxamide
CID 103839294
5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 120889009
N-[[1-(bromomethyl)cyclohexyl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 113359984
5-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]thiophene-2-carboxamide
CID 30255015
3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]thiophene-2-carboxamide
CID 103969700
3,5-dibromo-N-[[1-(bromomethyl)cyclopentyl]methyl]benzamide
CID 107975182
5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide
CID 33372780
N-[[1-(bromomethyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 115364322
3,5-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
CID 107975224

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide (CID 115364247) is 5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide is O=C(NCC1(CBr)CCCC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide?
The InChIKey is BBAZNUGVVOUEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NOS/c13-7-12(5-1-2-6-12)8-15-11(16)9-3-4-10(14)17-9/h3-4H,1-2,5-8H2,(H,15,16).
What are the key properties of 5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide?
5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide has a molecular weight of 381.13 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 115364247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).