(6S)-1-(furan-2-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione

C12H16N2O3S — CID 53304359

IUPAC(6S)-1-(furan-2-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione
SMILESCSCC[C@H]1C(=O)NCC(=O)N1Cc1ccco1
InChIInChI=1S/C12H16N2O3S/c1-18-6-4-10-12(16)13-7-11(15)14(10)8-9-3-2-5-17-9/h2-3,5,10H,4,6-8H2,1H3,(H,13,16)/t10-/m0/s1
InChIKeyNZHLFRNHSDQQPQ-JTQLQIEISA-N
MW268.34 g/mol
LogP0.86
Rot. Bonds5

About (6S)-1-(furan-2-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione

(6S)-1-(furan-2-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione (PubChem CID 53304359) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is (6S)-1-(furan-2-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(6S)-1-(furan-2-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione
PubChem CID53304359
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name(6S)-1-(furan-2-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione
SMILESCSCC[C@H]1C(=O)NCC(=O)N1Cc1ccco1
InChIInChI=1S/C12H16N2O3S/c1-18-6-4-10-12(16)13-7-11(15)14(10)8-9-3-2-5-17-9/h2-3,5,10H,4,6-8H2,1H3,(H,13,16)/t10-/m0/s1
InChIKeyNZHLFRNHSDQQPQ-JTQLQIEISA-N
XLogP0.86
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-1-(furan-2-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione?
The IUPAC name of (6S)-1-(furan-2-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione (CID 53304359) is (6S)-1-(furan-2-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione.
What is the SMILES notation for (6S)-1-(furan-2-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione?
The canonical SMILES for (6S)-1-(furan-2-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione is CSCC[C@H]1C(=O)NCC(=O)N1Cc1ccco1.
What is the InChIKey of (6S)-1-(furan-2-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione?
The InChIKey is NZHLFRNHSDQQPQ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-18-6-4-10-12(16)13-7-11(15)14(10)8-9-3-2-5-17-9/h2-3,5,10H,4,6-8H2,1H3,(H,13,16)/t10-/m0/s1.
What are the key properties of (6S)-1-(furan-2-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione?
(6S)-1-(furan-2-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione has a molecular weight of 268.34 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-(furan-2-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione is sourced from PubChem (CID 53304359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).