3,3-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione

C12H20N2O2S — CID 114121786

IUPAC3,3-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione
SMILESCSC1CCCC1N1CC(=O)NC(C)(C)C1=O
InChIInChI=1S/C12H20N2O2S/c1-12(2)11(16)14(7-10(15)13-12)8-5-4-6-9(8)17-3/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKeyBDARJPSHYPZVOE-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.01
Rot. Bonds2

About 3,3-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione

3,3-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione (PubChem CID 114121786) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione
PubChem CID114121786
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name3,3-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione
SMILESCSC1CCCC1N1CC(=O)NC(C)(C)C1=O
InChIInChI=1S/C12H20N2O2S/c1-12(2)11(16)14(7-10(15)13-12)8-5-4-6-9(8)17-3/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKeyBDARJPSHYPZVOE-UHFFFAOYSA-N
XLogP1.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione (CID 114121786) is 3,3-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione is CSC1CCCC1N1CC(=O)NC(C)(C)C1=O.
What is the InChIKey of 3,3-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione?
The InChIKey is BDARJPSHYPZVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-12(2)11(16)14(7-10(15)13-12)8-5-4-6-9(8)17-3/h8-9H,4-7H2,1-3H3,(H,13,15).
What are the key properties of 3,3-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione?
3,3-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione has a molecular weight of 256.37 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione is sourced from PubChem (CID 114121786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).