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

C11H13Br2NOS — CID 114311405

IUPAC3-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-carboxamide
SMILESO=C(NC1(CBr)CCCC1)c1sccc1Br
InChIInChI=1S/C11H13Br2NOS/c12-7-11(4-1-2-5-11)14-10(15)9-8(13)3-6-16-9/h3,6H,1-2,4-5,7H2,(H,14,15)
InChIKeyOUORKOVBEPHZEY-UHFFFAOYSA-N
MW367.11 g/mol
LogP3.95
Rot. Bonds3

About 3-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-carboxamide

3-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-carboxamide (PubChem CID 114311405) has the molecular formula C11H13Br2NOS and a molecular weight of 367.11 g/mol. Its IUPAC name is 3-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-carboxamide
PubChem CID114311405
Molecular FormulaC11H13Br2NOS
Molecular Weight367.11 g/mol
Exact Mass364.91
IUPAC Name3-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-carboxamide
SMILESO=C(NC1(CBr)CCCC1)c1sccc1Br
InChIInChI=1S/C11H13Br2NOS/c12-7-11(4-1-2-5-11)14-10(15)9-8(13)3-6-16-9/h3,6H,1-2,4-5,7H2,(H,14,15)
InChIKeyOUORKOVBEPHZEY-UHFFFAOYSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.11
LogP ≤ 53.95
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

3-bromo-N-[4-(bromomethyl)oxan-4-yl]thiophene-2-carboxamide
CID 106300923
3-bromo-N-[1-(chloromethyl)cyclohexyl]thiophene-2-carboxamide
CID 114303411
3-bromo-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide
CID 115878426
3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]thiophene-2-carboxamide
CID 103969700
N-[4-(bromomethyl)oxan-4-yl]-3-chlorothiophene-2-carboxamide
CID 106304812
1-[[(3-bromothiophene-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81367156
3-bromo-N-[(1-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 103753311
N-[1-(bromomethyl)cyclopentyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103406064
3-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide
CID 113271024
1-[[(3-bromothiophene-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 113309582
3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide
CID 107975111
N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide
CID 114311351

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-carboxamide (CID 114311405) is 3-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-carboxamide is O=C(NC1(CBr)CCCC1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-carboxamide?
The InChIKey is OUORKOVBEPHZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NOS/c12-7-11(4-1-2-5-11)14-10(15)9-8(13)3-6-16-9/h3,6H,1-2,4-5,7H2,(H,14,15).
What are the key properties of 3-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-carboxamide?
3-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-carboxamide has a molecular weight of 367.11 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-carboxamide is sourced from PubChem (CID 114311405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).