2-cyclopropyl-5-propyl-1-(2-propylsulfonylethyl)piperazine

C15H30N2O2S — CID 106732860

IUPAC2-cyclopropyl-5-propyl-1-(2-propylsulfonylethyl)piperazine
SMILESCCCC1CN(CCS(=O)(=O)CCC)C(C2CC2)CN1
InChIInChI=1S/C15H30N2O2S/c1-3-5-14-12-17(8-10-20(18,19)9-4-2)15(11-16-14)13-6-7-13/h13-16H,3-12H2,1-2H3
InChIKeyJDDWUELYCMOTHT-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.66
Rot. Bonds8

About 2-cyclopropyl-5-propyl-1-(2-propylsulfonylethyl)piperazine

2-cyclopropyl-5-propyl-1-(2-propylsulfonylethyl)piperazine (PubChem CID 106732860) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 2-cyclopropyl-5-propyl-1-(2-propylsulfonylethyl)piperazine.

Molecular Properties

Compound Name2-cyclopropyl-5-propyl-1-(2-propylsulfonylethyl)piperazine
PubChem CID106732860
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name2-cyclopropyl-5-propyl-1-(2-propylsulfonylethyl)piperazine
SMILESCCCC1CN(CCS(=O)(=O)CCC)C(C2CC2)CN1
InChIInChI=1S/C15H30N2O2S/c1-3-5-14-12-17(8-10-20(18,19)9-4-2)15(11-16-14)13-6-7-13/h13-16H,3-12H2,1-2H3
InChIKeyJDDWUELYCMOTHT-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-1-ethyl-5-propylpiperazine
CID 64838589
2-cyclopropyl-1-(cyclopropylmethyl)-5-propylpiperazine
CID 64838783
2-cyclopropyl-5-propyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64840726
1-(2-butoxyethyl)-2-cyclopropyl-5-propylpiperazine
CID 64839370
2-cyclopropyl-5,5-diethyl-1-(2-propylsulfonylethyl)piperazine
CID 106733248
2-cyclopropyl-5-ethyl-1-propylpiperazine
CID 64842143
1-[(E)-but-2-enyl]-2-cyclopropyl-5-propylpiperazine
CID 107897904
2-cyclohexyl-1-(4-methylpentyl)-5-propylpiperazine
CID 83148151
5-cyclopropyl-1-(2-ethylsulfonylethyl)-2-propylpiperazine
CID 106733268
1-benzyl-2-cyclopropyl-5-propylpiperazine
CID 64839373
5-ethyl-2-(2-methylpropyl)-1-(2-propylsulfonylethyl)piperazine
CID 106732985
2,5-dicyclopropyl-1-(2-methylsulfonylethyl)piperazine
CID 64861284

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-propyl-1-(2-propylsulfonylethyl)piperazine?
The IUPAC name of 2-cyclopropyl-5-propyl-1-(2-propylsulfonylethyl)piperazine (CID 106732860) is 2-cyclopropyl-5-propyl-1-(2-propylsulfonylethyl)piperazine.
What is the SMILES notation for 2-cyclopropyl-5-propyl-1-(2-propylsulfonylethyl)piperazine?
The canonical SMILES for 2-cyclopropyl-5-propyl-1-(2-propylsulfonylethyl)piperazine is CCCC1CN(CCS(=O)(=O)CCC)C(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-5-propyl-1-(2-propylsulfonylethyl)piperazine?
The InChIKey is JDDWUELYCMOTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-3-5-14-12-17(8-10-20(18,19)9-4-2)15(11-16-14)13-6-7-13/h13-16H,3-12H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-propyl-1-(2-propylsulfonylethyl)piperazine?
2-cyclopropyl-5-propyl-1-(2-propylsulfonylethyl)piperazine has a molecular weight of 302.48 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-propyl-1-(2-propylsulfonylethyl)piperazine is sourced from PubChem (CID 106732860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).