3-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine-2,5-dione

C13H18N2O2S — CID 64972578

IUPAC3-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine-2,5-dione
SMILESCc1ccc(CC(C)N2CC(=O)NC(C)C2=O)s1
InChIInChI=1S/C13H18N2O2S/c1-8(6-11-5-4-9(2)18-11)15-7-12(16)14-10(3)13(15)17/h4-5,8,10H,6-7H2,1-3H3,(H,14,16)
InChIKeyKDGDFDMEBMFDAU-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.33
Rot. Bonds3

About 3-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine-2,5-dione

3-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine-2,5-dione (PubChem CID 64972578) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine-2,5-dione
PubChem CID64972578
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name3-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine-2,5-dione
SMILESCc1ccc(CC(C)N2CC(=O)NC(C)C2=O)s1
InChIInChI=1S/C13H18N2O2S/c1-8(6-11-5-4-9(2)18-11)15-7-12(16)14-10(3)13(15)17/h4-5,8,10H,6-7H2,1-3H3,(H,14,16)
InChIKeyKDGDFDMEBMFDAU-UHFFFAOYSA-N
XLogP1.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine-2,5-dione
CID 64968470
(3S)-3-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 164760236
1-hexan-2-yl-3-methylpiperazine-2,5-dione
CID 64969050
1-[4-(furan-2-yl)butan-2-yl]-3-methylpiperazine-2,5-dione
CID 64966669
1-but-3-yn-2-yl-3-methylpiperazine-2,5-dione
CID 114420528
5-ethyl-6-hydroxy-1-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-dione
CID 115948535
1-[1-(5-methylthiophen-2-yl)propan-2-yl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 79873550
1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64970610
3-cyclopropyl-3-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,4-diazepane
CID 64950625
3-cyclopropyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione
CID 64965061
1-[(5-methylthiophen-2-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64968489
2,5-diethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
CID 64941276

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine-2,5-dione?
The IUPAC name of 3-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine-2,5-dione (CID 64972578) is 3-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine-2,5-dione?
The canonical SMILES for 3-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine-2,5-dione is Cc1ccc(CC(C)N2CC(=O)NC(C)C2=O)s1.
What is the InChIKey of 3-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine-2,5-dione?
The InChIKey is KDGDFDMEBMFDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-8(6-11-5-4-9(2)18-11)15-7-12(16)14-10(3)13(15)17/h4-5,8,10H,6-7H2,1-3H3,(H,14,16).
What are the key properties of 3-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine-2,5-dione?
3-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine-2,5-dione has a molecular weight of 266.37 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine-2,5-dione is sourced from PubChem (CID 64972578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).