1-[dihydroxy(methyl)-λ4-sulfanyl]-4-methylpiperazine-2,3-dione;ethane

C10H24N2O4S — CID 144669151

IUPAC1-[dihydroxy(methyl)-λ4-sulfanyl]-4-methylpiperazine-2,3-dione;ethane
SMILESCC.CC.CN1CCN(S(C)(O)O)C(=O)C1=O
InChIInChI=1S/C6H12N2O4S.2C2H6/c1-7-3-4-8(13(2,11)12)6(10)5(7)9;2*1-2/h11-12H,3-4H2,1-2H3;2*1-2H3
InChIKeyZTWUCCZAPVZEAJ-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.63
Rot. Bonds1

About 1-[dihydroxy(methyl)-λ4-sulfanyl]-4-methylpiperazine-2,3-dione;ethane

1-[dihydroxy(methyl)-λ4-sulfanyl]-4-methylpiperazine-2,3-dione;ethane (PubChem CID 144669151) has the molecular formula C10H24N2O4S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[dihydroxy(methyl)-λ4-sulfanyl]-4-methylpiperazine-2,3-dione;ethane.

Molecular Properties

Compound Name1-[dihydroxy(methyl)-λ4-sulfanyl]-4-methylpiperazine-2,3-dione;ethane
PubChem CID144669151
Molecular FormulaC10H24N2O4S
Molecular Weight268.38 g/mol
Exact Mass268.15
IUPAC Name1-[dihydroxy(methyl)-λ4-sulfanyl]-4-methylpiperazine-2,3-dione;ethane
SMILESCC.CC.CN1CCN(S(C)(O)O)C(=O)C1=O
InChIInChI=1S/C6H12N2O4S.2C2H6/c1-7-3-4-8(13(2,11)12)6(10)5(7)9;2*1-2/h11-12H,3-4H2,1-2H3;2*1-2H3
InChIKeyZTWUCCZAPVZEAJ-UHFFFAOYSA-N
XLogP1.63
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[dihydroxy(methyl)-λ4-sulfanyl]-4-methylpiperazine-2,3-dione;ethane?
The IUPAC name of 1-[dihydroxy(methyl)-λ4-sulfanyl]-4-methylpiperazine-2,3-dione;ethane (CID 144669151) is 1-[dihydroxy(methyl)-λ4-sulfanyl]-4-methylpiperazine-2,3-dione;ethane.
What is the SMILES notation for 1-[dihydroxy(methyl)-λ4-sulfanyl]-4-methylpiperazine-2,3-dione;ethane?
The canonical SMILES for 1-[dihydroxy(methyl)-λ4-sulfanyl]-4-methylpiperazine-2,3-dione;ethane is CC.CC.CN1CCN(S(C)(O)O)C(=O)C1=O.
What is the InChIKey of 1-[dihydroxy(methyl)-λ4-sulfanyl]-4-methylpiperazine-2,3-dione;ethane?
The InChIKey is ZTWUCCZAPVZEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4S.2C2H6/c1-7-3-4-8(13(2,11)12)6(10)5(7)9;2*1-2/h11-12H,3-4H2,1-2H3;2*1-2H3.
What are the key properties of 1-[dihydroxy(methyl)-λ4-sulfanyl]-4-methylpiperazine-2,3-dione;ethane?
1-[dihydroxy(methyl)-λ4-sulfanyl]-4-methylpiperazine-2,3-dione;ethane has a molecular weight of 268.38 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dihydroxy(methyl)-λ4-sulfanyl]-4-methylpiperazine-2,3-dione;ethane is sourced from PubChem (CID 144669151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).