3-butan-2-yl-6-propan-2-yl-1-(thiolan-3-yl)piperazine-2,5-dione

C15H26N2O2S — CID 103065061

IUPAC3-butan-2-yl-6-propan-2-yl-1-(thiolan-3-yl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C(C)C)N(C2CCSC2)C1=O
InChIInChI=1S/C15H26N2O2S/c1-5-10(4)12-15(19)17(11-6-7-20-8-11)13(9(2)3)14(18)16-12/h9-13H,5-8H2,1-4H3,(H,16,18)
InChIKeyJRESLEGKSHYIDN-UHFFFAOYSA-N
MW298.45 g/mol
LogP1.89
Rot. Bonds4

About 3-butan-2-yl-6-propan-2-yl-1-(thiolan-3-yl)piperazine-2,5-dione

3-butan-2-yl-6-propan-2-yl-1-(thiolan-3-yl)piperazine-2,5-dione (PubChem CID 103065061) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 3-butan-2-yl-6-propan-2-yl-1-(thiolan-3-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-6-propan-2-yl-1-(thiolan-3-yl)piperazine-2,5-dione
PubChem CID103065061
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name3-butan-2-yl-6-propan-2-yl-1-(thiolan-3-yl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C(C)C)N(C2CCSC2)C1=O
InChIInChI=1S/C15H26N2O2S/c1-5-10(4)12-15(19)17(11-6-7-20-8-11)13(9(2)3)14(18)16-12/h9-13H,5-8H2,1-4H3,(H,16,18)
InChIKeyJRESLEGKSHYIDN-UHFFFAOYSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-butan-2-yl-6-propan-2-yl-1-(thiolan-3-yl)piperazine-2,5-dione with MolForge

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Related Compounds

3-butan-2-yl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
CID 64969105
8-propan-2-yl-9-(thiolan-3-yl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 103065107
3-butan-2-yl-1-(1-methylcyclopentyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64973556
3-butan-2-yl-6-methyl-1-(1-methylpiperidin-4-yl)piperazine-2,5-dione
CID 64960169
3-butan-2-yl-1-(2,2-dimethylbutyl)-6-propan-2-ylpiperazine-2,5-dione
CID 103465503
3-butan-2-yl-1-cyclohexyl-6-cyclopropylpiperazine-2,5-dione
CID 82923635
6-butan-2-yl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
CID 11436446
3-butan-2-yl-1-(2-methoxy-2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 104766455
(3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione
CID 7076241
3-butan-2-yl-1-pent-3-ynyl-6-propan-2-ylpiperazine-2,5-dione
CID 116645603
5-propan-2-yl-3-(thiolan-3-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 103065506
3-butan-2-yl-1-(3,3-dimethylcyclopentyl)-6-methylpiperazine-2,5-dione
CID 114551437

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-6-propan-2-yl-1-(thiolan-3-yl)piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-6-propan-2-yl-1-(thiolan-3-yl)piperazine-2,5-dione (CID 103065061) is 3-butan-2-yl-6-propan-2-yl-1-(thiolan-3-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-6-propan-2-yl-1-(thiolan-3-yl)piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-6-propan-2-yl-1-(thiolan-3-yl)piperazine-2,5-dione is CCC(C)C1NC(=O)C(C(C)C)N(C2CCSC2)C1=O.
What is the InChIKey of 3-butan-2-yl-6-propan-2-yl-1-(thiolan-3-yl)piperazine-2,5-dione?
The InChIKey is JRESLEGKSHYIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-5-10(4)12-15(19)17(11-6-7-20-8-11)13(9(2)3)14(18)16-12/h9-13H,5-8H2,1-4H3,(H,16,18).
What are the key properties of 3-butan-2-yl-6-propan-2-yl-1-(thiolan-3-yl)piperazine-2,5-dione?
3-butan-2-yl-6-propan-2-yl-1-(thiolan-3-yl)piperazine-2,5-dione has a molecular weight of 298.45 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-6-propan-2-yl-1-(thiolan-3-yl)piperazine-2,5-dione is sourced from PubChem (CID 103065061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).