6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione

C9H16N2O4S — CID 64973062

IUPAC6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione
SMILESCC(CS(C)(=O)=O)N1C(=O)CNC(=O)C1C
InChIInChI=1S/C9H16N2O4S/c1-6(5-16(3,14)15)11-7(2)9(13)10-4-8(11)12/h6-7H,4-5H2,1-3H3,(H,10,13)
InChIKeyDYNAOPCEALZMMJ-UHFFFAOYSA-N
MW248.30 g/mol
LogP-1.23
Rot. Bonds3

About 6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione

6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione (PubChem CID 64973062) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is 6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione
PubChem CID64973062
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC Name6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione
SMILESCC(CS(C)(=O)=O)N1C(=O)CNC(=O)C1C
InChIInChI=1S/C9H16N2O4S/c1-6(5-16(3,14)15)11-7(2)9(13)10-4-8(11)12/h6-7H,4-5H2,1-3H3,(H,10,13)
InChIKeyDYNAOPCEALZMMJ-UHFFFAOYSA-N
XLogP-1.23
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-1-(5-methylhexan-2-yl)piperazine-2,5-dione
CID 64971428
2-(2-methylpropyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
CID 83263628
2-cyclopentyl-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
CID 83262831
3,3-diethyl-6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione
CID 64973042
2-methyl-3-(1-methylsulfonylpropan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83262988
(6S)-1-[(1S)-1-(4-iodophenyl)ethyl]-6-methylpiperazine-2,5-dione
CID 10937222
2-(4-methoxyphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
CID 83262833
5-butyl-2-methyl-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
CID 83264830
1-[3-(dimethylamino)propyl]-6-methylpiperazine-2,5-dione
CID 64960175
1-but-3-ynyl-6-methylpiperazine-2,5-dione
CID 64972448
6-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
CID 64880261
1-(1-methylsulfonylpropan-2-yl)imidazolidine-2,4-dione
CID 79778127

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione?
The IUPAC name of 6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione (CID 64973062) is 6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione is CC(CS(C)(=O)=O)N1C(=O)CNC(=O)C1C.
What is the InChIKey of 6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione?
The InChIKey is DYNAOPCEALZMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c1-6(5-16(3,14)15)11-7(2)9(13)10-4-8(11)12/h6-7H,4-5H2,1-3H3,(H,10,13).
What are the key properties of 6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione?
6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione has a molecular weight of 248.30 g/mol, XLogP of -1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 64973062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).