6-propan-2-yl-1-(2-propylsulfonylethyl)piperazine-2,5-dione

C12H22N2O4S — CID 106733647

IUPAC6-propan-2-yl-1-(2-propylsulfonylethyl)piperazine-2,5-dione
SMILESCCCS(=O)(=O)CCN1C(=O)CNC(=O)C1C(C)C
InChIInChI=1S/C12H22N2O4S/c1-4-6-19(17,18)7-5-14-10(15)8-13-12(16)11(14)9(2)3/h9,11H,4-8H2,1-3H3,(H,13,16)
InChIKeyNOARJEMUSFWJSF-UHFFFAOYSA-N
MW290.39 g/mol
LogP-0.21
Rot. Bonds6

About 6-propan-2-yl-1-(2-propylsulfonylethyl)piperazine-2,5-dione

6-propan-2-yl-1-(2-propylsulfonylethyl)piperazine-2,5-dione (PubChem CID 106733647) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is 6-propan-2-yl-1-(2-propylsulfonylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-propan-2-yl-1-(2-propylsulfonylethyl)piperazine-2,5-dione
PubChem CID106733647
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC Name6-propan-2-yl-1-(2-propylsulfonylethyl)piperazine-2,5-dione
SMILESCCCS(=O)(=O)CCN1C(=O)CNC(=O)C1C(C)C
InChIInChI=1S/C12H22N2O4S/c1-4-6-19(17,18)7-5-14-10(15)8-13-12(16)11(14)9(2)3/h9,11H,4-8H2,1-3H3,(H,13,16)
InChIKeyNOARJEMUSFWJSF-UHFFFAOYSA-N
XLogP-0.21
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1-(2-propylsulfonylethyl)piperazine-2,5-dione?
The IUPAC name of 6-propan-2-yl-1-(2-propylsulfonylethyl)piperazine-2,5-dione (CID 106733647) is 6-propan-2-yl-1-(2-propylsulfonylethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-propan-2-yl-1-(2-propylsulfonylethyl)piperazine-2,5-dione?
The canonical SMILES for 6-propan-2-yl-1-(2-propylsulfonylethyl)piperazine-2,5-dione is CCCS(=O)(=O)CCN1C(=O)CNC(=O)C1C(C)C.
What is the InChIKey of 6-propan-2-yl-1-(2-propylsulfonylethyl)piperazine-2,5-dione?
The InChIKey is NOARJEMUSFWJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-4-6-19(17,18)7-5-14-10(15)8-13-12(16)11(14)9(2)3/h9,11H,4-8H2,1-3H3,(H,13,16).
What are the key properties of 6-propan-2-yl-1-(2-propylsulfonylethyl)piperazine-2,5-dione?
6-propan-2-yl-1-(2-propylsulfonylethyl)piperazine-2,5-dione has a molecular weight of 290.39 g/mol, XLogP of -0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1-(2-propylsulfonylethyl)piperazine-2,5-dione is sourced from PubChem (CID 106733647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).