N-[[1-(bromomethyl)cyclopentyl]methyl]-2-thiophen-2-ylacetamide

C13H18BrNOS — CID 115364188

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC1(CBr)CCCC1
InChIInChI=1S/C13H18BrNOS/c14-9-13(5-1-2-6-13)10-15-12(16)8-11-4-3-7-17-11/h3-4,7H,1-2,5-6,8-10H2,(H,15,16)
InChIKeyVOTIBHPAKUBIAK-UHFFFAOYSA-N
MW316.26 g/mol
LogP3.36
Rot. Bonds5

About N-[[1-(bromomethyl)cyclopentyl]methyl]-2-thiophen-2-ylacetamide

N-[[1-(bromomethyl)cyclopentyl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 115364188) has the molecular formula C13H18BrNOS and a molecular weight of 316.26 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]-2-thiophen-2-ylacetamide
PubChem CID115364188
Molecular FormulaC13H18BrNOS
Molecular Weight316.26 g/mol
Exact Mass315.03
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC1(CBr)CCCC1
InChIInChI=1S/C13H18BrNOS/c14-9-13(5-1-2-6-13)10-15-12(16)8-11-4-3-7-17-11/h3-4,7H,1-2,5-6,8-10H2,(H,15,16)
InChIKeyVOTIBHPAKUBIAK-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 53.36
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

1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361995
N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 115364345
methyl 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclohexane-1-carboxylate
CID 75484639
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[(3-methylpiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide
CID 113400474
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-[1-[(3-thiophen-2-ylpropanoylamino)methyl]cyclobutyl]acetic acid
CID 81164192
N-[(1-pyridin-2-ylcyclopropyl)methyl]-2-thiophen-2-ylacetamide
CID 110483280
N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 95984810
3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]thiophene-2-carboxamide
CID 103969700
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266
5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 115364247

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-2-thiophen-2-ylacetamide (CID 115364188) is N-[[1-(bromomethyl)cyclopentyl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCC1(CBr)CCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is VOTIBHPAKUBIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNOS/c14-9-13(5-1-2-6-13)10-15-12(16)8-11-4-3-7-17-11/h3-4,7H,1-2,5-6,8-10H2,(H,15,16).
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]-2-thiophen-2-ylacetamide?
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 316.26 g/mol, XLogP of 3.36, 5 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]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115364188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).