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

C12H16BrNOS — CID 115364345

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1(CBr)CCCC1)c1cccs1
InChIInChI=1S/C12H16BrNOS/c13-8-12(5-1-2-6-12)9-14-11(15)10-4-3-7-16-10/h3-4,7H,1-2,5-6,8-9H2,(H,14,15)
InChIKeyJDMAVARMHIYHQM-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.43
Rot. Bonds4

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

N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide (PubChem CID 115364345) has the molecular formula C12H16BrNOS and a molecular weight of 302.24 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
PubChem CID115364345
Molecular FormulaC12H16BrNOS
Molecular Weight302.24 g/mol
Exact Mass301.01
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1(CBr)CCCC1)c1cccs1
InChIInChI=1S/C12H16BrNOS/c13-8-12(5-1-2-6-12)9-14-11(15)10-4-3-7-16-10/h3-4,7H,1-2,5-6,8-9H2,(H,14,15)
InChIKeyJDMAVARMHIYHQM-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.43
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-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 110416723
N-[(1-ethylcyclobutyl)methyl]thiophene-2-carboxamide
CID 103741423
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-thiophen-2-ylacetamide
CID 115364188
5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 115364247
3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]thiophene-2-carboxamide
CID 103969700
N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-carboxamide
CID 103742453
N-[(2-methylthiolan-2-yl)methyl]thiophene-2-carboxamide
CID 80528767
N-[[1-(bromomethyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 115364322
N-[[1-(bromomethyl)cyclopentyl]methyl]-2,3-dihydroxybenzamide
CID 114345326
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-2-carboxamide
CID 71782124
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 42265711
N-[[1-(bromomethyl)cyclohexyl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 113359984

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide (CID 115364345) is N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide is O=C(NCC1(CBr)CCCC1)c1cccs1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide?
The InChIKey is JDMAVARMHIYHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS/c13-8-12(5-1-2-6-12)9-14-11(15)10-4-3-7-16-10/h3-4,7H,1-2,5-6,8-9H2,(H,14,15).
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide?
N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide has a molecular weight of 302.24 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 115364345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).