3-cyclopropyl-6-ethyl-1-(thian-2-ylmethyl)piperazine-2,5-dione

C15H24N2O2S — CID 80612398

IUPAC3-cyclopropyl-6-ethyl-1-(thian-2-ylmethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C2CC2)C(=O)N1CC1CCCCS1
InChIInChI=1S/C15H24N2O2S/c1-2-12-14(18)16-13(10-6-7-10)15(19)17(12)9-11-5-3-4-8-20-11/h10-13H,2-9H2,1H3,(H,16,18)
InChIKeyUEBVEDGYOOEXTM-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.79
Rot. Bonds4

About 3-cyclopropyl-6-ethyl-1-(thian-2-ylmethyl)piperazine-2,5-dione

3-cyclopropyl-6-ethyl-1-(thian-2-ylmethyl)piperazine-2,5-dione (PubChem CID 80612398) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-cyclopropyl-6-ethyl-1-(thian-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-ethyl-1-(thian-2-ylmethyl)piperazine-2,5-dione
PubChem CID80612398
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-cyclopropyl-6-ethyl-1-(thian-2-ylmethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C2CC2)C(=O)N1CC1CCCCS1
InChIInChI=1S/C15H24N2O2S/c1-2-12-14(18)16-13(10-6-7-10)15(19)17(12)9-11-5-3-4-8-20-11/h10-13H,2-9H2,1H3,(H,16,18)
InChIKeyUEBVEDGYOOEXTM-UHFFFAOYSA-N
XLogP1.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-diethyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80587044
3-cyclohexyl-1-(cyclopropylmethyl)-6-ethylpiperazine-2,5-dione
CID 64887557
3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64885044
3-cyclopropyl-6-ethyl-3-methyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80586911
2-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83271322
3-cyclohexyl-6-ethyl-1-(2-methylbutyl)piperazine-2,5-dione
CID 64887564
5-ethyl-2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270759
1-cycloheptyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64959657
1-(cyclopentylmethyl)-3,6-diethylpiperazine-2,5-dione
CID 64902210
1-but-3-ynyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64972450
1-but-3-enyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 113466174
3-cyclopropyl-6-ethyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione
CID 64884857

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-ethyl-1-(thian-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-ethyl-1-(thian-2-ylmethyl)piperazine-2,5-dione (CID 80612398) is 3-cyclopropyl-6-ethyl-1-(thian-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-ethyl-1-(thian-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-ethyl-1-(thian-2-ylmethyl)piperazine-2,5-dione is CCC1C(=O)NC(C2CC2)C(=O)N1CC1CCCCS1.
What is the InChIKey of 3-cyclopropyl-6-ethyl-1-(thian-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is UEBVEDGYOOEXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-12-14(18)16-13(10-6-7-10)15(19)17(12)9-11-5-3-4-8-20-11/h10-13H,2-9H2,1H3,(H,16,18).
What are the key properties of 3-cyclopropyl-6-ethyl-1-(thian-2-ylmethyl)piperazine-2,5-dione?
3-cyclopropyl-6-ethyl-1-(thian-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 296.44 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-ethyl-1-(thian-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 80612398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).