6-ethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpiperazine-2,5-dione

C14H24N2O4S — CID 64967822

IUPAC6-ethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(C2(C)CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C14H24N2O4S/c1-4-6-10-13(18)16(11(5-2)12(17)15-10)14(3)7-8-21(19,20)9-14/h10-11H,4-9H2,1-3H3,(H,15,17)
InChIKeyGPUVWYLQDPUTTH-UHFFFAOYSA-N
MW316.42 g/mol
LogP0.47
Rot. Bonds4

About 6-ethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpiperazine-2,5-dione

6-ethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpiperazine-2,5-dione (PubChem CID 64967822) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 6-ethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpiperazine-2,5-dione
PubChem CID64967822
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name6-ethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(C2(C)CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C14H24N2O4S/c1-4-6-10-13(18)16(11(5-2)12(17)15-10)14(3)7-8-21(19,20)9-14/h10-11H,4-9H2,1-3H3,(H,15,17)
InChIKeyGPUVWYLQDPUTTH-UHFFFAOYSA-N
XLogP0.47
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpiperazine-2,5-dione with MolForge

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Related Compounds

6-ethyl-1-(1-methylcyclopentyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64973563
1-tert-butyl-6-ethyl-3-propylpiperazine-2,5-dione
CID 64955942
6-ethyl-1-(2-methylcyclohexyl)-3-propylpiperazine-2,5-dione
CID 64959124
1-(2,4-dimethylcyclohexyl)-6-ethyl-3-propylpiperazine-2,5-dione
CID 64971821
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3,6-diethylpiperazine-2,5-dione
CID 107165375
1-(1-methylcyclohexyl)-3-propylpiperazine-2,5-dione
CID 64968246
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
6-ethyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione
CID 64971608
1-[(1-methylcyclopentyl)methyl]-3-propylpiperazine-2,5-dione
CID 64971362
3-methyl-3-(2-propan-2-yl-5-propylpiperazin-1-yl)thiolane 1,1-dioxide
CID 64948473
6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione
CID 64957677
1-cyclopropyl-6-methyl-3-propylpiperazine-2,5-dione
CID 64958390

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpiperazine-2,5-dione (CID 64967822) is 6-ethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(CC)N(C2(C)CCS(=O)(=O)C2)C1=O.
What is the InChIKey of 6-ethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpiperazine-2,5-dione?
The InChIKey is GPUVWYLQDPUTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-4-6-10-13(18)16(11(5-2)12(17)15-10)14(3)7-8-21(19,20)9-14/h10-11H,4-9H2,1-3H3,(H,15,17).
What are the key properties of 6-ethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpiperazine-2,5-dione?
6-ethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpiperazine-2,5-dione has a molecular weight of 316.42 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64967822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).