3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]cyclopentane-1-carboxamide

C12H17BrN2OS — CID 113266074

IUPAC3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCCc2ccc(Br)s2)C1
InChIInChI=1S/C12H17BrN2OS/c13-11-4-3-10(17-11)5-6-15-12(16)8-1-2-9(14)7-8/h3-4,8-9H,1-2,5-7,14H2,(H,15,16)
InChIKeyRFNLQDQKPKXGOT-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.30
Rot. Bonds4

About 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]cyclopentane-1-carboxamide

3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 113266074) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID113266074
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCCc2ccc(Br)s2)C1
InChIInChI=1S/C12H17BrN2OS/c13-11-4-3-10(17-11)5-6-15-12(16)8-1-2-9(14)7-8/h3-4,8-9H,1-2,5-7,14H2,(H,15,16)
InChIKeyRFNLQDQKPKXGOT-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]cyclohexane-1-carboxamide
CID 103808336
N-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 115150875
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclohexane-1-carboxamide
CID 103809468
N-[2-(5-bromothiophen-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 18157738
N-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119699604
3-amino-N-[2-(4-ethylphenyl)ethyl]cyclopentane-1-carboxamide
CID 119760925
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide
CID 66030877
cis-(1S,3R)-3-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114138901
3-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 106032628
(2S,4S)-N-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124677512
N-[2-[[N'-[2-(5-bromothiophen-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111863265
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119702505

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]cyclopentane-1-carboxamide (CID 113266074) is 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]cyclopentane-1-carboxamide is NC1CCC(C(=O)NCCc2ccc(Br)s2)C1.
What is the InChIKey of 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is RFNLQDQKPKXGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c13-11-4-3-10(17-11)5-6-15-12(16)8-1-2-9(14)7-8/h3-4,8-9H,1-2,5-7,14H2,(H,15,16).
What are the key properties of 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]cyclopentane-1-carboxamide?
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 317.25 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 113266074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).