1-[(4-bromothiophen-2-yl)methyl]-6-methylpiperazine-2,5-dione

C10H11BrN2O2S — CID 64879457

IUPAC1-[(4-bromothiophen-2-yl)methyl]-6-methylpiperazine-2,5-dione
SMILESCC1C(=O)NCC(=O)N1Cc1cc(Br)cs1
InChIInChI=1S/C10H11BrN2O2S/c1-6-10(15)12-3-9(14)13(6)4-8-2-7(11)5-16-8/h2,5-6H,3-4H2,1H3,(H,12,15)
InChIKeyKIFFVOOHHYCKTQ-UHFFFAOYSA-N
MW303.18 g/mol
LogP1.36
Rot. Bonds2

About 1-[(4-bromothiophen-2-yl)methyl]-6-methylpiperazine-2,5-dione

1-[(4-bromothiophen-2-yl)methyl]-6-methylpiperazine-2,5-dione (PubChem CID 64879457) has the molecular formula C10H11BrN2O2S and a molecular weight of 303.18 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]-6-methylpiperazine-2,5-dione
PubChem CID64879457
Molecular FormulaC10H11BrN2O2S
Molecular Weight303.18 g/mol
Exact Mass301.97
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]-6-methylpiperazine-2,5-dione
SMILESCC1C(=O)NCC(=O)N1Cc1cc(Br)cs1
InChIInChI=1S/C10H11BrN2O2S/c1-6-10(15)12-3-9(14)13(6)4-8-2-7(11)5-16-8/h2,5-6H,3-4H2,1H3,(H,12,15)
InChIKeyKIFFVOOHHYCKTQ-UHFFFAOYSA-N
XLogP1.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-6-methylpiperazine-2,5-dione (CID 64879457) is 1-[(4-bromothiophen-2-yl)methyl]-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]-6-methylpiperazine-2,5-dione is CC1C(=O)NCC(=O)N1Cc1cc(Br)cs1.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]-6-methylpiperazine-2,5-dione?
The InChIKey is KIFFVOOHHYCKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2S/c1-6-10(15)12-3-9(14)13(6)4-8-2-7(11)5-16-8/h2,5-6H,3-4H2,1H3,(H,12,15).
What are the key properties of 1-[(4-bromothiophen-2-yl)methyl]-6-methylpiperazine-2,5-dione?
1-[(4-bromothiophen-2-yl)methyl]-6-methylpiperazine-2,5-dione has a molecular weight of 303.18 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromothiophen-2-yl)methyl]-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64879457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).