2-(1-aminocyclopentyl)-N-[(4-bromothiophen-2-yl)methyl]acetamide

C12H17BrN2OS — CID 64676894

IUPAC2-(1-aminocyclopentyl)-N-[(4-bromothiophen-2-yl)methyl]acetamide
SMILESNC1(CC(=O)NCc2cc(Br)cs2)CCCC1
InChIInChI=1S/C12H17BrN2OS/c13-9-5-10(17-8-9)7-15-11(16)6-12(14)3-1-2-4-12/h5,8H,1-4,6-7,14H2,(H,15,16)
InChIKeyYPYIANWRUZVWFF-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.79
Rot. Bonds4

About 2-(1-aminocyclopentyl)-N-[(4-bromothiophen-2-yl)methyl]acetamide

2-(1-aminocyclopentyl)-N-[(4-bromothiophen-2-yl)methyl]acetamide (PubChem CID 64676894) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-N-[(4-bromothiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-N-[(4-bromothiophen-2-yl)methyl]acetamide
PubChem CID64676894
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name2-(1-aminocyclopentyl)-N-[(4-bromothiophen-2-yl)methyl]acetamide
SMILESNC1(CC(=O)NCc2cc(Br)cs2)CCCC1
InChIInChI=1S/C12H17BrN2OS/c13-9-5-10(17-8-9)7-15-11(16)6-12(14)3-1-2-4-12/h5,8H,1-4,6-7,14H2,(H,15,16)
InChIKeyYPYIANWRUZVWFF-UHFFFAOYSA-N
XLogP2.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 61060372
N-[(4-bromothiophen-2-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242573
2-(1-adamantyl)-N-[(4-bromothiophen-2-yl)methyl]acetamide
CID 112729654
2-(1-aminocyclopentyl)-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 64676702
2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride
CID 75424655
N-[(4-bromothiophen-2-yl)methyl]-1-carbamothioylcyclobutane-1-carboxamide
CID 80591384
1-[(4-bromothiophen-2-yl)methyl]-3-methylurea
CID 23548634
N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylacetamide
CID 47250162
1-[(4-bromothiophen-2-yl)methoxymethyl]cyclopentan-1-amine
CID 64572030
N-[(4-bromothiophen-2-yl)methyl]cyclopropanecarboxamide
CID 47250199
N-[(4-bromothiophen-2-yl)methyl]dodecanamide
CID 65426710
2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]acetamide
CID 64684380

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-N-[(4-bromothiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(1-aminocyclopentyl)-N-[(4-bromothiophen-2-yl)methyl]acetamide (CID 64676894) is 2-(1-aminocyclopentyl)-N-[(4-bromothiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclopentyl)-N-[(4-bromothiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(1-aminocyclopentyl)-N-[(4-bromothiophen-2-yl)methyl]acetamide is NC1(CC(=O)NCc2cc(Br)cs2)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-N-[(4-bromothiophen-2-yl)methyl]acetamide?
The InChIKey is YPYIANWRUZVWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c13-9-5-10(17-8-9)7-15-11(16)6-12(14)3-1-2-4-12/h5,8H,1-4,6-7,14H2,(H,15,16).
What are the key properties of 2-(1-aminocyclopentyl)-N-[(4-bromothiophen-2-yl)methyl]acetamide?
2-(1-aminocyclopentyl)-N-[(4-bromothiophen-2-yl)methyl]acetamide has a molecular weight of 317.25 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-N-[(4-bromothiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 64676894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).