1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione

C15H21ClN2O2S — CID 106045989

IUPAC1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)N(CCc2ccc(Cl)s2)C1=O
InChIInChI=1S/C15H21ClN2O2S/c1-9(2)8-12-15(20)18(10(3)14(19)17-12)7-6-11-4-5-13(16)21-11/h4-5,9-10,12H,6-8H2,1-3H3,(H,17,19)
InChIKeyVTEIEUGJTQCEKS-UHFFFAOYSA-N
MW328.87 g/mol
LogP2.71
Rot. Bonds5

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

1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 106045989) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.87 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID106045989
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.87 g/mol
Exact Mass328.10
IUPAC Name1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)N(CCc2ccc(Cl)s2)C1=O
InChIInChI=1S/C15H21ClN2O2S/c1-9(2)8-12-15(20)18(10(3)14(19)17-12)7-6-11-4-5-13(16)21-11/h4-5,9-10,12H,6-8H2,1-3H3,(H,17,19)
InChIKeyVTEIEUGJTQCEKS-UHFFFAOYSA-N
XLogP2.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64902675
1-[2-(furan-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64964778
6-methyl-1,3-bis(2-methylpropyl)piperazine-2,5-dione
CID 64900761
1-[2-(5-bromothiophen-2-yl)ethyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 106046035
6-methyl-3-(2-methylpropyl)-1-(2,3,3-trimethylbutyl)piperazine-2,5-dione
CID 83146598
1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64959221
1-[(4-bromothiophen-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64901145
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64903182
1-(cyclobutylmethyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64960282
1-(2,5-dichlorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64961786
1-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione
CID 106046041
(5S)-3-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 31281610

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione (CID 106045989) is 1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione is CC(C)CC1NC(=O)C(C)N(CCc2ccc(Cl)s2)C1=O.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is VTEIEUGJTQCEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2S/c1-9(2)8-12-15(20)18(10(3)14(19)17-12)7-6-11-4-5-13(16)21-11/h4-5,9-10,12H,6-8H2,1-3H3,(H,17,19).
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 328.87 g/mol, XLogP of 2.71, 5 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-methyl-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 106045989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).