6-methyl-3-(2-methylpropyl)-1-(thiolan-2-ylmethyl)piperazine-2,5-dione

C14H24N2O2S — CID 80586725

IUPAC6-methyl-3-(2-methylpropyl)-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)N(CC2CCCS2)C1=O
InChIInChI=1S/C14H24N2O2S/c1-9(2)7-12-14(18)16(10(3)13(17)15-12)8-11-5-4-6-19-11/h9-12H,4-8H2,1-3H3,(H,15,17)
InChIKeyMIGAGKBPDJQSGO-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.64
Rot. Bonds4

About 6-methyl-3-(2-methylpropyl)-1-(thiolan-2-ylmethyl)piperazine-2,5-dione

6-methyl-3-(2-methylpropyl)-1-(thiolan-2-ylmethyl)piperazine-2,5-dione (PubChem CID 80586725) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 6-methyl-3-(2-methylpropyl)-1-(thiolan-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-3-(2-methylpropyl)-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
PubChem CID80586725
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name6-methyl-3-(2-methylpropyl)-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)N(CC2CCCS2)C1=O
InChIInChI=1S/C14H24N2O2S/c1-9(2)7-12-14(18)16(10(3)13(17)15-12)8-11-5-4-6-19-11/h9-12H,4-8H2,1-3H3,(H,15,17)
InChIKeyMIGAGKBPDJQSGO-UHFFFAOYSA-N
XLogP1.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclobutylmethyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64960282
2-cyclopentyl-5-(2-methylpropyl)-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83269998
3-tert-butyl-6-methyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80586968
6-methyl-1,3-bis(2-methylpropyl)piperazine-2,5-dione
CID 64900761
3,6-diethyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80587044
6-methyl-1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 64971117
1-(1,4-dithian-2-ylmethyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 113489628
6-methyl-3-(2-methylpropyl)-1-(2,3,3-trimethylbutyl)piperazine-2,5-dione
CID 83146598
2-methyl-5-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83270596
2-(2-methylpropyl)-5-propan-2-yl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270997
3-methyl-2-(thiolan-2-ylmethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 80587069
3-cyclopropyl-3,6-dimethyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80587066

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-methylpropyl)-1-(thiolan-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6-methyl-3-(2-methylpropyl)-1-(thiolan-2-ylmethyl)piperazine-2,5-dione (CID 80586725) is 6-methyl-3-(2-methylpropyl)-1-(thiolan-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-methyl-3-(2-methylpropyl)-1-(thiolan-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6-methyl-3-(2-methylpropyl)-1-(thiolan-2-ylmethyl)piperazine-2,5-dione is CC(C)CC1NC(=O)C(C)N(CC2CCCS2)C1=O.
What is the InChIKey of 6-methyl-3-(2-methylpropyl)-1-(thiolan-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is MIGAGKBPDJQSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-9(2)7-12-14(18)16(10(3)13(17)15-12)8-11-5-4-6-19-11/h9-12H,4-8H2,1-3H3,(H,15,17).
What are the key properties of 6-methyl-3-(2-methylpropyl)-1-(thiolan-2-ylmethyl)piperazine-2,5-dione?
6-methyl-3-(2-methylpropyl)-1-(thiolan-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 284.43 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-methylpropyl)-1-(thiolan-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 80586725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).