(3R,6S)-1,6-dimethyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione

C8H14N2O2S2 — CID 139583413

IUPAC(3R,6S)-1,6-dimethyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
SMILESCS[C@H]1NC(=O)[C@](C)(SC)N(C)C1=O
InChIInChI=1S/C8H14N2O2S2/c1-8(14-4)7(12)9-5(13-3)6(11)10(8)2/h5H,1-4H3,(H,9,12)/t5-,8+/m1/s1
InChIKeyWCPLIKLNRAJXLF-XRGYYRRGSA-N
MW234.35 g/mol
LogP0.34
Rot. Bonds2

About (3R,6S)-1,6-dimethyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione

(3R,6S)-1,6-dimethyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione (PubChem CID 139583413) has the molecular formula C8H14N2O2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is (3R,6S)-1,6-dimethyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3R,6S)-1,6-dimethyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
PubChem CID139583413
Molecular FormulaC8H14N2O2S2
Molecular Weight234.35 g/mol
Exact Mass234.05
IUPAC Name(3R,6S)-1,6-dimethyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
SMILESCS[C@H]1NC(=O)[C@](C)(SC)N(C)C1=O
InChIInChI=1S/C8H14N2O2S2/c1-8(14-4)7(12)9-5(13-3)6(11)10(8)2/h5H,1-4H3,(H,9,12)/t5-,8+/m1/s1
InChIKeyWCPLIKLNRAJXLF-XRGYYRRGSA-N
XLogP0.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,6S)-1,6-dimethyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione?
The IUPAC name of (3R,6S)-1,6-dimethyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione (CID 139583413) is (3R,6S)-1,6-dimethyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione.
What is the SMILES notation for (3R,6S)-1,6-dimethyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione?
The canonical SMILES for (3R,6S)-1,6-dimethyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione is CS[C@H]1NC(=O)[C@](C)(SC)N(C)C1=O.
What is the InChIKey of (3R,6S)-1,6-dimethyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione?
The InChIKey is WCPLIKLNRAJXLF-XRGYYRRGSA-N. The full InChI is InChI=1S/C8H14N2O2S2/c1-8(14-4)7(12)9-5(13-3)6(11)10(8)2/h5H,1-4H3,(H,9,12)/t5-,8+/m1/s1.
What are the key properties of (3R,6S)-1,6-dimethyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione?
(3R,6S)-1,6-dimethyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione has a molecular weight of 234.35 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-1,6-dimethyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione is sourced from PubChem (CID 139583413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).