1,4-bis(trimethyl-λ4-sulfanyl)piperazine-2,5-dione

C10H22N2O2S2 — CID 138624741

IUPAC1,4-bis(trimethyl-λ4-sulfanyl)piperazine-2,5-dione
SMILESCS(C)(C)N1CC(=O)N(S(C)(C)C)CC1=O
InChIInChI=1S/C10H22N2O2S2/c1-15(2,3)11-7-10(14)12(8-9(11)13)16(4,5)6/h7-8H2,1-6H3
InChIKeyYBICITKLCFFBQV-UHFFFAOYSA-N
MW266.43 g/mol
LogP0.88
Rot. Bonds2

About 1,4-bis(trimethyl-λ4-sulfanyl)piperazine-2,5-dione

1,4-bis(trimethyl-λ4-sulfanyl)piperazine-2,5-dione (PubChem CID 138624741) has the molecular formula C10H22N2O2S2 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1,4-bis(trimethyl-λ4-sulfanyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1,4-bis(trimethyl-λ4-sulfanyl)piperazine-2,5-dione
PubChem CID138624741
Molecular FormulaC10H22N2O2S2
Molecular Weight266.43 g/mol
Exact Mass266.11
IUPAC Name1,4-bis(trimethyl-λ4-sulfanyl)piperazine-2,5-dione
SMILESCS(C)(C)N1CC(=O)N(S(C)(C)C)CC1=O
InChIInChI=1S/C10H22N2O2S2/c1-15(2,3)11-7-10(14)12(8-9(11)13)16(4,5)6/h7-8H2,1-6H3
InChIKeyYBICITKLCFFBQV-UHFFFAOYSA-N
XLogP0.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(trimethyl-λ4-sulfanyl)piperazine-2,5-dione?
The IUPAC name of 1,4-bis(trimethyl-λ4-sulfanyl)piperazine-2,5-dione (CID 138624741) is 1,4-bis(trimethyl-λ4-sulfanyl)piperazine-2,5-dione.
What is the SMILES notation for 1,4-bis(trimethyl-λ4-sulfanyl)piperazine-2,5-dione?
The canonical SMILES for 1,4-bis(trimethyl-λ4-sulfanyl)piperazine-2,5-dione is CS(C)(C)N1CC(=O)N(S(C)(C)C)CC1=O.
What is the InChIKey of 1,4-bis(trimethyl-λ4-sulfanyl)piperazine-2,5-dione?
The InChIKey is YBICITKLCFFBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S2/c1-15(2,3)11-7-10(14)12(8-9(11)13)16(4,5)6/h7-8H2,1-6H3.
What are the key properties of 1,4-bis(trimethyl-λ4-sulfanyl)piperazine-2,5-dione?
1,4-bis(trimethyl-λ4-sulfanyl)piperazine-2,5-dione has a molecular weight of 266.43 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(trimethyl-λ4-sulfanyl)piperazine-2,5-dione is sourced from PubChem (CID 138624741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).