3,3-dimethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione

C14H26N2O4S — CID 106733527

IUPAC3,3-dimethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
SMILESCC(C)C1C(=O)NC(C)(C)C(=O)N1CCS(=O)(=O)C(C)C
InChIInChI=1S/C14H26N2O4S/c1-9(2)11-12(17)15-14(5,6)13(18)16(11)7-8-21(19,20)10(3)4/h9-11H,7-8H2,1-6H3,(H,15,17)
InChIKeyXHXCUGAEJGKRGF-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.57
Rot. Bonds5

About 3,3-dimethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione

3,3-dimethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione (PubChem CID 106733527) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is 3,3-dimethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
PubChem CID106733527
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name3,3-dimethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
SMILESCC(C)C1C(=O)NC(C)(C)C(=O)N1CCS(=O)(=O)C(C)C
InChIInChI=1S/C14H26N2O4S/c1-9(2)11-12(17)15-14(5,6)13(18)16(11)7-8-21(19,20)10(3)4/h9-11H,7-8H2,1-6H3,(H,15,17)
InChIKeyXHXCUGAEJGKRGF-UHFFFAOYSA-N
XLogP0.57
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

1-but-3-ynyl-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64972499
3,3-dimethyl-6-propan-2-yl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
CID 115519251
3-ethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
CID 106733557
3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64901017
9-(2-methylsulfonylethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885124
3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 107056469
1-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
CID 107851383
1-(3-chloro-2-methylprop-2-enyl)-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
CID 106440656
3,3-dimethyl-1-[(2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64900825
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
CID 79232201
3-ethyl-3-methyl-1-(3-methylbutyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901390
3-cyclopropyl-1-(3,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64885748

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione?
The IUPAC name of 3,3-dimethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione (CID 106733527) is 3,3-dimethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione is CC(C)C1C(=O)NC(C)(C)C(=O)N1CCS(=O)(=O)C(C)C.
What is the InChIKey of 3,3-dimethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione?
The InChIKey is XHXCUGAEJGKRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-9(2)11-12(17)15-14(5,6)13(18)16(11)7-8-21(19,20)10(3)4/h9-11H,7-8H2,1-6H3,(H,15,17).
What are the key properties of 3,3-dimethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione?
3,3-dimethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione has a molecular weight of 318.44 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione is sourced from PubChem (CID 106733527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).