2-(3-bromothiophen-2-yl)-1-[1-(diethylamino)cyclopentyl]ethanone

C15H22BrNOS — CID 79070320

IUPAC2-(3-bromothiophen-2-yl)-1-[1-(diethylamino)cyclopentyl]ethanone
SMILESCCN(CC)C1(C(=O)Cc2sccc2Br)CCCC1
InChIInChI=1S/C15H22BrNOS/c1-3-17(4-2)15(8-5-6-9-15)14(18)11-13-12(16)7-10-19-13/h7,10H,3-6,8-9,11H2,1-2H3
InChIKeyCMQYSMQFVXVHOK-UHFFFAOYSA-N
MW344.32 g/mol
LogP4.28
Rot. Bonds6

About 2-(3-bromothiophen-2-yl)-1-[1-(diethylamino)cyclopentyl]ethanone

2-(3-bromothiophen-2-yl)-1-[1-(diethylamino)cyclopentyl]ethanone (PubChem CID 79070320) has the molecular formula C15H22BrNOS and a molecular weight of 344.32 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-[1-(diethylamino)cyclopentyl]ethanone.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-[1-(diethylamino)cyclopentyl]ethanone
PubChem CID79070320
Molecular FormulaC15H22BrNOS
Molecular Weight344.32 g/mol
Exact Mass343.06
IUPAC Name2-(3-bromothiophen-2-yl)-1-[1-(diethylamino)cyclopentyl]ethanone
SMILESCCN(CC)C1(C(=O)Cc2sccc2Br)CCCC1
InChIInChI=1S/C15H22BrNOS/c1-3-17(4-2)15(8-5-6-9-15)14(18)11-13-12(16)7-10-19-13/h7,10H,3-6,8-9,11H2,1-2H3
InChIKeyCMQYSMQFVXVHOK-UHFFFAOYSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromothiophen-2-yl)-1-(1-hydroxycyclohexyl)ethanone
CID 103449535
2-(3-bromothiophen-2-yl)-1-(1-methoxycycloheptyl)ethanone
CID 116750399
2-(3-bromothiophen-2-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580567
2-(3-bromothiophen-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568661
2-(3-bromothiophen-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982360
1-[1-(diethylamino)cyclopentyl]propan-1-one
CID 79070006
1-[1-(diethylamino)cyclopentyl]-2-(2-methoxyphenyl)ethanone
CID 79058681
1-[1-(diethylamino)cyclopentyl]-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373297
2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone
CID 79070162
(3-bromofuran-2-yl)-[1-(diethylamino)cyclopentyl]methanone
CID 79070400
1-(3-bromothiophen-2-yl)-3,3-dimethylbutan-2-one
CID 62620042
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CID 79995869

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-[1-(diethylamino)cyclopentyl]ethanone?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-[1-(diethylamino)cyclopentyl]ethanone (CID 79070320) is 2-(3-bromothiophen-2-yl)-1-[1-(diethylamino)cyclopentyl]ethanone.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-[1-(diethylamino)cyclopentyl]ethanone?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-[1-(diethylamino)cyclopentyl]ethanone is CCN(CC)C1(C(=O)Cc2sccc2Br)CCCC1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-[1-(diethylamino)cyclopentyl]ethanone?
The InChIKey is CMQYSMQFVXVHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNOS/c1-3-17(4-2)15(8-5-6-9-15)14(18)11-13-12(16)7-10-19-13/h7,10H,3-6,8-9,11H2,1-2H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-[1-(diethylamino)cyclopentyl]ethanone?
2-(3-bromothiophen-2-yl)-1-[1-(diethylamino)cyclopentyl]ethanone has a molecular weight of 344.32 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-[1-(diethylamino)cyclopentyl]ethanone is sourced from PubChem (CID 79070320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).