(3R)-3-(2-methylpropyl)-6-thiophen-2-ylpiperazine-2,5-dione

C12H16N2O2S — CID 138012181

IUPAC(3R)-3-(2-methylpropyl)-6-thiophen-2-ylpiperazine-2,5-dione
SMILESCC(C)C[C@H]1NC(=O)C(c2cccs2)NC1=O
InChIInChI=1S/C12H16N2O2S/c1-7(2)6-8-11(15)14-10(12(16)13-8)9-4-3-5-17-9/h3-5,7-8,10H,6H2,1-2H3,(H,13,16)(H,14,15)/t8-,10?/m1/s1
InChIKeyDMAXAHWUIYNPPG-HNHGDDPOSA-N
MW252.34 g/mol
LogP1.45
Rot. Bonds3

About (3R)-3-(2-methylpropyl)-6-thiophen-2-ylpiperazine-2,5-dione

(3R)-3-(2-methylpropyl)-6-thiophen-2-ylpiperazine-2,5-dione (PubChem CID 138012181) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is (3R)-3-(2-methylpropyl)-6-thiophen-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(2-methylpropyl)-6-thiophen-2-ylpiperazine-2,5-dione
PubChem CID138012181
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name(3R)-3-(2-methylpropyl)-6-thiophen-2-ylpiperazine-2,5-dione
SMILESCC(C)C[C@H]1NC(=O)C(c2cccs2)NC1=O
InChIInChI=1S/C12H16N2O2S/c1-7(2)6-8-11(15)14-10(12(16)13-8)9-4-3-5-17-9/h3-5,7-8,10H,6H2,1-2H3,(H,13,16)(H,14,15)/t8-,10?/m1/s1
InChIKeyDMAXAHWUIYNPPG-HNHGDDPOSA-N
XLogP1.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methylpropyl)-6-thiophen-2-ylpiperazine-2,5-dione?
The IUPAC name of (3R)-3-(2-methylpropyl)-6-thiophen-2-ylpiperazine-2,5-dione (CID 138012181) is (3R)-3-(2-methylpropyl)-6-thiophen-2-ylpiperazine-2,5-dione.
What is the SMILES notation for (3R)-3-(2-methylpropyl)-6-thiophen-2-ylpiperazine-2,5-dione?
The canonical SMILES for (3R)-3-(2-methylpropyl)-6-thiophen-2-ylpiperazine-2,5-dione is CC(C)C[C@H]1NC(=O)C(c2cccs2)NC1=O.
What is the InChIKey of (3R)-3-(2-methylpropyl)-6-thiophen-2-ylpiperazine-2,5-dione?
The InChIKey is DMAXAHWUIYNPPG-HNHGDDPOSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-7(2)6-8-11(15)14-10(12(16)13-8)9-4-3-5-17-9/h3-5,7-8,10H,6H2,1-2H3,(H,13,16)(H,14,15)/t8-,10?/m1/s1.
What are the key properties of (3R)-3-(2-methylpropyl)-6-thiophen-2-ylpiperazine-2,5-dione?
(3R)-3-(2-methylpropyl)-6-thiophen-2-ylpiperazine-2,5-dione has a molecular weight of 252.34 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methylpropyl)-6-thiophen-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 138012181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).