1-[2-(5-bromothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione

C14H19BrN2O2S — CID 106046056

IUPAC1-[2-(5-bromothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1CCc1ccc(Br)s1
InChIInChI=1S/C14H19BrN2O2S/c1-4-10-12(18)16-14(2,3)13(19)17(10)8-7-9-5-6-11(15)20-9/h5-6,10H,4,7-8H2,1-3H3,(H,16,18)
InChIKeyOCKIQTUKUWYHIX-UHFFFAOYSA-N
MW359.29 g/mol
LogP2.57
Rot. Bonds4

About 1-[2-(5-bromothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione

1-[2-(5-bromothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione (PubChem CID 106046056) has the molecular formula C14H19BrN2O2S and a molecular weight of 359.29 g/mol. Its IUPAC name is 1-[2-(5-bromothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(5-bromothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione
PubChem CID106046056
Molecular FormulaC14H19BrN2O2S
Molecular Weight359.29 g/mol
Exact Mass358.04
IUPAC Name1-[2-(5-bromothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1CCc1ccc(Br)s1
InChIInChI=1S/C14H19BrN2O2S/c1-4-10-12(18)16-14(2,3)13(19)17(10)8-7-9-5-6-11(15)20-9/h5-6,10H,4,7-8H2,1-3H3,(H,16,18)
InChIKeyOCKIQTUKUWYHIX-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-chlorothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 106045933
1-[(5-bromothiophen-2-yl)methyl]-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64886811
1-[2-(4-chlorophenyl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64964510
6-ethyl-3,3-dimethyl-1-octylpiperazine-2,5-dione
CID 64873815
1-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64873816
6-ethyl-1-(3-methoxypropyl)-3,3-dimethylpiperazine-2,5-dione
CID 64875375
6-ethyl-1-(3-ethylsulfonylpropyl)-3,3-dimethylpiperazine-2,5-dione
CID 65096750
6-ethyl-3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
CID 64873811
1-(3-ethoxypropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64959171
6-ethyl-3,3-dimethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
CID 106383723
6-ethyl-3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002967
1-(2,2-dimethylpropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64964021

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(5-bromothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione (CID 106046056) is 1-[2-(5-bromothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(5-bromothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(5-bromothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione is CCC1C(=O)NC(C)(C)C(=O)N1CCc1ccc(Br)s1.
What is the InChIKey of 1-[2-(5-bromothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is OCKIQTUKUWYHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2S/c1-4-10-12(18)16-14(2,3)13(19)17(10)8-7-9-5-6-11(15)20-9/h5-6,10H,4,7-8H2,1-3H3,(H,16,18).
What are the key properties of 1-[2-(5-bromothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
1-[2-(5-bromothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 359.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 106046056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).