5-cyclopropyl-1-(2-ethylsulfonylethyl)-2-propylpiperazine

C14H28N2O2S — CID 106733268

IUPAC5-cyclopropyl-1-(2-ethylsulfonylethyl)-2-propylpiperazine
SMILESCCCC1CNC(C2CC2)CN1CCS(=O)(=O)CC
InChIInChI=1S/C14H28N2O2S/c1-3-5-13-10-15-14(12-6-7-12)11-16(13)8-9-19(17,18)4-2/h12-15H,3-11H2,1-2H3
InChIKeyBGUGHEJOBQWJIB-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.27
Rot. Bonds7

About 5-cyclopropyl-1-(2-ethylsulfonylethyl)-2-propylpiperazine

5-cyclopropyl-1-(2-ethylsulfonylethyl)-2-propylpiperazine (PubChem CID 106733268) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2-ethylsulfonylethyl)-2-propylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-(2-ethylsulfonylethyl)-2-propylpiperazine
PubChem CID106733268
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name5-cyclopropyl-1-(2-ethylsulfonylethyl)-2-propylpiperazine
SMILESCCCC1CNC(C2CC2)CN1CCS(=O)(=O)CC
InChIInChI=1S/C14H28N2O2S/c1-3-5-13-10-15-14(12-6-7-12)11-16(13)8-9-19(17,18)4-2/h12-15H,3-11H2,1-2H3
InChIKeyBGUGHEJOBQWJIB-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-1-(2-ethylsulfanylethyl)-2-propylpiperazine
CID 113474587
1-(cyclobutylmethyl)-5-cyclohexyl-2-propylpiperazine
CID 65462078
5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine
CID 65097323
2,5-dicyclopropyl-1-(2-methylsulfonylethyl)piperazine
CID 64861284
2-cyclopropyl-5-propyl-1-(2-propylsulfonylethyl)piperazine
CID 106732860
5-cyclopropyl-1,2-diethylpiperazine
CID 64862405
5-cyclohexyl-1-(oxolan-3-ylmethyl)-2-propylpiperazine
CID 64860188
1-[(2-bromophenyl)methyl]-5-cyclopropyl-2-propylpiperazine
CID 64862217
5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine
CID 64847770
5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-2-propylpiperazine
CID 64859717
5-cyclopropyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine
CID 113488302
5-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine
CID 64862396

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2-ethylsulfonylethyl)-2-propylpiperazine?
The IUPAC name of 5-cyclopropyl-1-(2-ethylsulfonylethyl)-2-propylpiperazine (CID 106733268) is 5-cyclopropyl-1-(2-ethylsulfonylethyl)-2-propylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-(2-ethylsulfonylethyl)-2-propylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-(2-ethylsulfonylethyl)-2-propylpiperazine is CCCC1CNC(C2CC2)CN1CCS(=O)(=O)CC.
What is the InChIKey of 5-cyclopropyl-1-(2-ethylsulfonylethyl)-2-propylpiperazine?
The InChIKey is BGUGHEJOBQWJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-3-5-13-10-15-14(12-6-7-12)11-16(13)8-9-19(17,18)4-2/h12-15H,3-11H2,1-2H3.
What are the key properties of 5-cyclopropyl-1-(2-ethylsulfonylethyl)-2-propylpiperazine?
5-cyclopropyl-1-(2-ethylsulfonylethyl)-2-propylpiperazine has a molecular weight of 288.46 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2-ethylsulfonylethyl)-2-propylpiperazine is sourced from PubChem (CID 106733268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).