4-[(5-methylthiophen-2-yl)methyl]piperazine-2,6-dione

C10H12N2O2S — CID 63788380

IUPAC4-[(5-methylthiophen-2-yl)methyl]piperazine-2,6-dione
SMILESCc1ccc(CN2CC(=O)NC(=O)C2)s1
InChIInChI=1S/C10H12N2O2S/c1-7-2-3-8(15-7)4-12-5-9(13)11-10(14)6-12/h2-3H,4-6H2,1H3,(H,11,13,14)
InChIKeyCVKVGZXHJAGYBE-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.51
Rot. Bonds2

About 4-[(5-methylthiophen-2-yl)methyl]piperazine-2,6-dione

4-[(5-methylthiophen-2-yl)methyl]piperazine-2,6-dione (PubChem CID 63788380) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-[(5-methylthiophen-2-yl)methyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[(5-methylthiophen-2-yl)methyl]piperazine-2,6-dione
PubChem CID63788380
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name4-[(5-methylthiophen-2-yl)methyl]piperazine-2,6-dione
SMILESCc1ccc(CN2CC(=O)NC(=O)C2)s1
InChIInChI=1S/C10H12N2O2S/c1-7-2-3-8(15-7)4-12-5-9(13)11-10(14)6-12/h2-3H,4-6H2,1H3,(H,11,13,14)
InChIKeyCVKVGZXHJAGYBE-UHFFFAOYSA-N
XLogP0.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[(5-methylthiophen-2-yl)methyl]morpholine-2,6-dione
CID 63777407
3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine-2,5-dione
CID 64968470
3-[(5-methylthiophen-2-yl)methyl]imidazolidine-2,4-dione
CID 103621020
4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 71220628
6-[(5-methylthiophen-2-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24906759
(3R)-3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine
CID 103885885
4-[[5-[(5-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]piperazin-2-one
CID 56913541
8-[(5-methylthiophen-2-yl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46997723
2-amino-6-[(5-methylthiophen-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861180
4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 70894300
[2-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91921711
2-[4-[(5-methylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65062127

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylthiophen-2-yl)methyl]piperazine-2,6-dione?
The IUPAC name of 4-[(5-methylthiophen-2-yl)methyl]piperazine-2,6-dione (CID 63788380) is 4-[(5-methylthiophen-2-yl)methyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[(5-methylthiophen-2-yl)methyl]piperazine-2,6-dione?
The canonical SMILES for 4-[(5-methylthiophen-2-yl)methyl]piperazine-2,6-dione is Cc1ccc(CN2CC(=O)NC(=O)C2)s1.
What is the InChIKey of 4-[(5-methylthiophen-2-yl)methyl]piperazine-2,6-dione?
The InChIKey is CVKVGZXHJAGYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-7-2-3-8(15-7)4-12-5-9(13)11-10(14)6-12/h2-3H,4-6H2,1H3,(H,11,13,14).
What are the key properties of 4-[(5-methylthiophen-2-yl)methyl]piperazine-2,6-dione?
4-[(5-methylthiophen-2-yl)methyl]piperazine-2,6-dione has a molecular weight of 224.28 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylthiophen-2-yl)methyl]piperazine-2,6-dione is sourced from PubChem (CID 63788380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).