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

C14H19ClN2O2S — CID 106045933

IUPAC1-[2-(5-chlorothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1CCc1ccc(Cl)s1
InChIInChI=1S/C14H19ClN2O2S/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)
InChIKeyYDSQJUIHHWKKEP-UHFFFAOYSA-N
MW314.84 g/mol
LogP2.46
Rot. Bonds4

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

1-[2-(5-chlorothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione (PubChem CID 106045933) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione
PubChem CID106045933
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC Name1-[2-(5-chlorothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1CCc1ccc(Cl)s1
InChIInChI=1S/C14H19ClN2O2S/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)
InChIKeyYDSQJUIHHWKKEP-UHFFFAOYSA-N
XLogP2.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(5-chlorothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione with MolForge

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Related Compounds

1-[2-(5-bromothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 106046056
1-[2-(4-chlorophenyl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64964510
9-[(5-chlorothiophen-2-yl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885696
6-ethyl-3,3-dimethyl-1-octylpiperazine-2,5-dione
CID 64873815
6-ethyl-1-(3-ethylsulfonylpropyl)-3,3-dimethylpiperazine-2,5-dione
CID 65096750
6-ethyl-1-(3-methoxypropyl)-3,3-dimethylpiperazine-2,5-dione
CID 64875375
1-[(5-chlorothiophen-2-yl)methyl]-3,3,7-trimethyl-1,4-diazepane-2,5-dione
CID 64883397
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-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002967
1-(2,2-dimethylpropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64964021
6-ethyl-3,3-dimethyl-1-(1,2-oxazol-3-ylmethyl)piperazine-2,5-dione
CID 81174229

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione (CID 106045933) is 1-[2-(5-chlorothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione is CCC1C(=O)NC(C)(C)C(=O)N1CCc1ccc(Cl)s1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is YDSQJUIHHWKKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/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-chlorothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
1-[2-(5-chlorothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 314.84 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 106045933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).