1-[(1,1-dioxothiolan-3-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione

C14H24N2O4S — CID 64968952

IUPAC1-[(1,1-dioxothiolan-3-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1CC1CCS(=O)(=O)C1
InChIInChI=1S/C14H24N2O4S/c1-4-11-13(17)15-12(9(2)3)14(18)16(11)7-10-5-6-21(19,20)8-10/h9-12H,4-8H2,1-3H3,(H,15,17)
InChIKeyYVANVYDIWQUUPH-UHFFFAOYSA-N
MW316.42 g/mol
LogP0.18
Rot. Bonds4

About 1-[(1,1-dioxothiolan-3-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione

1-[(1,1-dioxothiolan-3-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64968952) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 1-[(1,1-dioxothiolan-3-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(1,1-dioxothiolan-3-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64968952
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name1-[(1,1-dioxothiolan-3-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1CC1CCS(=O)(=O)C1
InChIInChI=1S/C14H24N2O4S/c1-4-11-13(17)15-12(9(2)3)14(18)16(11)7-10-5-6-21(19,20)8-10/h9-12H,4-8H2,1-3H3,(H,15,17)
InChIKeyYVANVYDIWQUUPH-UHFFFAOYSA-N
XLogP0.18
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 ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1,1-dioxothiolan-3-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethyl-1-[(3-methylcyclopentyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 107415616
6-ethyl-1-[(2-methylcyclopropyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 113464219
3-[(1,1-dioxothiolan-3-yl)methyl]-5-propan-2-ylimidazolidin-4-one
CID 83253887
3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-methylimidazolidin-4-one
CID 83251863
1-(cyclopentylmethyl)-6-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873014
6-ethyl-1-(4-ethylcyclohexyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64964865
6-ethyl-1-(2-methylpentyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64872873
3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-propylimidazolidin-4-one
CID 83253717
6-ethyl-1-(3-methoxypropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64874647
1-(3-ethoxypropyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64959207
3-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83253548
1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64969387

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothiolan-3-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[(1,1-dioxothiolan-3-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione (CID 64968952) is 1-[(1,1-dioxothiolan-3-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(1,1-dioxothiolan-3-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[(1,1-dioxothiolan-3-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione is CCC1C(=O)NC(C(C)C)C(=O)N1CC1CCS(=O)(=O)C1.
What is the InChIKey of 1-[(1,1-dioxothiolan-3-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is YVANVYDIWQUUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-4-11-13(17)15-12(9(2)3)14(18)16(11)7-10-5-6-21(19,20)8-10/h9-12H,4-8H2,1-3H3,(H,15,17).
What are the key properties of 1-[(1,1-dioxothiolan-3-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
1-[(1,1-dioxothiolan-3-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 316.42 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxothiolan-3-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64968952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).