1-[(4,5-dimethylthiophen-2-yl)methyl]-3,6-diethyl-3-methylpiperazine-2,5-dione

C16H24N2O2S — CID 65244834

IUPAC1-[(4,5-dimethylthiophen-2-yl)methyl]-3,6-diethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(CC)C(=O)N1Cc1cc(C)c(C)s1
InChIInChI=1S/C16H24N2O2S/c1-6-13-14(19)17-16(5,7-2)15(20)18(13)9-12-8-10(3)11(4)21-12/h8,13H,6-7,9H2,1-5H3,(H,17,19)
InChIKeyYEEXOYAQFSYZCI-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.77
Rot. Bonds4

About 1-[(4,5-dimethylthiophen-2-yl)methyl]-3,6-diethyl-3-methylpiperazine-2,5-dione

1-[(4,5-dimethylthiophen-2-yl)methyl]-3,6-diethyl-3-methylpiperazine-2,5-dione (PubChem CID 65244834) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-[(4,5-dimethylthiophen-2-yl)methyl]-3,6-diethyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(4,5-dimethylthiophen-2-yl)methyl]-3,6-diethyl-3-methylpiperazine-2,5-dione
PubChem CID65244834
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-[(4,5-dimethylthiophen-2-yl)methyl]-3,6-diethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(CC)C(=O)N1Cc1cc(C)c(C)s1
InChIInChI=1S/C16H24N2O2S/c1-6-13-14(19)17-16(5,7-2)15(20)18(13)9-12-8-10(3)11(4)21-12/h8,13H,6-7,9H2,1-5H3,(H,17,19)
InChIKeyYEEXOYAQFSYZCI-UHFFFAOYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethylthiophen-2-yl)methyl]-3,6-diethyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-[(4,5-dimethylthiophen-2-yl)methyl]-3,6-diethyl-3-methylpiperazine-2,5-dione (CID 65244834) is 1-[(4,5-dimethylthiophen-2-yl)methyl]-3,6-diethyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(4,5-dimethylthiophen-2-yl)methyl]-3,6-diethyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[(4,5-dimethylthiophen-2-yl)methyl]-3,6-diethyl-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)(CC)C(=O)N1Cc1cc(C)c(C)s1.
What is the InChIKey of 1-[(4,5-dimethylthiophen-2-yl)methyl]-3,6-diethyl-3-methylpiperazine-2,5-dione?
The InChIKey is YEEXOYAQFSYZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-6-13-14(19)17-16(5,7-2)15(20)18(13)9-12-8-10(3)11(4)21-12/h8,13H,6-7,9H2,1-5H3,(H,17,19).
What are the key properties of 1-[(4,5-dimethylthiophen-2-yl)methyl]-3,6-diethyl-3-methylpiperazine-2,5-dione?
1-[(4,5-dimethylthiophen-2-yl)methyl]-3,6-diethyl-3-methylpiperazine-2,5-dione has a molecular weight of 308.45 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethylthiophen-2-yl)methyl]-3,6-diethyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 65244834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).