2,5-dicyclopropyl-1-(2-methylsulfonylethyl)piperazine

C13H24N2O2S — CID 64861284

IUPAC2,5-dicyclopropyl-1-(2-methylsulfonylethyl)piperazine
SMILESCS(=O)(=O)CCN1CC(C2CC2)NCC1C1CC1
InChIInChI=1S/C13H24N2O2S/c1-18(16,17)7-6-15-9-12(10-2-3-10)14-8-13(15)11-4-5-11/h10-14H,2-9H2,1H3
InChIKeyRLTVEYYYRYLVAP-UHFFFAOYSA-N
MW272.41 g/mol
LogP0.49
Rot. Bonds5

About 2,5-dicyclopropyl-1-(2-methylsulfonylethyl)piperazine

2,5-dicyclopropyl-1-(2-methylsulfonylethyl)piperazine (PubChem CID 64861284) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 2,5-dicyclopropyl-1-(2-methylsulfonylethyl)piperazine.

Molecular Properties

Compound Name2,5-dicyclopropyl-1-(2-methylsulfonylethyl)piperazine
PubChem CID64861284
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name2,5-dicyclopropyl-1-(2-methylsulfonylethyl)piperazine
SMILESCS(=O)(=O)CCN1CC(C2CC2)NCC1C1CC1
InChIInChI=1S/C13H24N2O2S/c1-18(16,17)7-6-15-9-12(10-2-3-10)14-8-13(15)11-4-5-11/h10-14H,2-9H2,1H3
InChIKeyRLTVEYYYRYLVAP-UHFFFAOYSA-N
XLogP0.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dicyclopropyl-1-(2-methylsulfonylethyl)piperazine?
The IUPAC name of 2,5-dicyclopropyl-1-(2-methylsulfonylethyl)piperazine (CID 64861284) is 2,5-dicyclopropyl-1-(2-methylsulfonylethyl)piperazine.
What is the SMILES notation for 2,5-dicyclopropyl-1-(2-methylsulfonylethyl)piperazine?
The canonical SMILES for 2,5-dicyclopropyl-1-(2-methylsulfonylethyl)piperazine is CS(=O)(=O)CCN1CC(C2CC2)NCC1C1CC1.
What is the InChIKey of 2,5-dicyclopropyl-1-(2-methylsulfonylethyl)piperazine?
The InChIKey is RLTVEYYYRYLVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-18(16,17)7-6-15-9-12(10-2-3-10)14-8-13(15)11-4-5-11/h10-14H,2-9H2,1H3.
What are the key properties of 2,5-dicyclopropyl-1-(2-methylsulfonylethyl)piperazine?
2,5-dicyclopropyl-1-(2-methylsulfonylethyl)piperazine has a molecular weight of 272.41 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dicyclopropyl-1-(2-methylsulfonylethyl)piperazine is sourced from PubChem (CID 64861284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).