2-cyclopropyl-5,5-diethyl-1-(2-propylsulfonylethyl)piperazine

C16H32N2O2S — CID 106733248

IUPAC2-cyclopropyl-5,5-diethyl-1-(2-propylsulfonylethyl)piperazine
SMILESCCCS(=O)(=O)CCN1CC(CC)(CC)NCC1C1CC1
InChIInChI=1S/C16H32N2O2S/c1-4-10-21(19,20)11-9-18-13-16(5-2,6-3)17-12-15(18)14-7-8-14/h14-15,17H,4-13H2,1-3H3
InChIKeyBKBFGBPULDRPRT-UHFFFAOYSA-N
MW316.51 g/mol
LogP2.05
Rot. Bonds8

About 2-cyclopropyl-5,5-diethyl-1-(2-propylsulfonylethyl)piperazine

2-cyclopropyl-5,5-diethyl-1-(2-propylsulfonylethyl)piperazine (PubChem CID 106733248) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is 2-cyclopropyl-5,5-diethyl-1-(2-propylsulfonylethyl)piperazine.

Molecular Properties

Compound Name2-cyclopropyl-5,5-diethyl-1-(2-propylsulfonylethyl)piperazine
PubChem CID106733248
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC Name2-cyclopropyl-5,5-diethyl-1-(2-propylsulfonylethyl)piperazine
SMILESCCCS(=O)(=O)CCN1CC(CC)(CC)NCC1C1CC1
InChIInChI=1S/C16H32N2O2S/c1-4-10-21(19,20)11-9-18-13-16(5-2,6-3)17-12-15(18)14-7-8-14/h14-15,17H,4-13H2,1-3H3
InChIKeyBKBFGBPULDRPRT-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-diethyl-2-propyl-1-(2-propylsulfonylethyl)piperazine
CID 106733240
2-cyclopropyl-5,5-diethyl-1-(2-methylsulfanylethyl)piperazine
CID 113474584
2-cyclopropyl-5,5-diethyl-1-(3-methylbutyl)piperazine
CID 64861980
2-cyclopropyl-5-propyl-1-(2-propylsulfonylethyl)piperazine
CID 106732860
2-cyclohexyl-1-(cyclopropylmethyl)-5,5-diethylpiperazine
CID 64860640
5-cyclopropyl-2,5-dimethyl-1-(2-propylsulfonylethyl)piperazine
CID 106733202
5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine
CID 64860997
2,5,5-triethyl-1-(2-methylsulfonylethyl)piperazine
CID 64861002
2-cyclopropyl-5,5-diethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperazine
CID 103016627
2-cyclopropyl-5,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64861983
2-cyclohexyl-1-(2-ethoxyethyl)-5,5-diethylpiperazine
CID 64860257
5,5-diethyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine
CID 65097167

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5,5-diethyl-1-(2-propylsulfonylethyl)piperazine?
The IUPAC name of 2-cyclopropyl-5,5-diethyl-1-(2-propylsulfonylethyl)piperazine (CID 106733248) is 2-cyclopropyl-5,5-diethyl-1-(2-propylsulfonylethyl)piperazine.
What is the SMILES notation for 2-cyclopropyl-5,5-diethyl-1-(2-propylsulfonylethyl)piperazine?
The canonical SMILES for 2-cyclopropyl-5,5-diethyl-1-(2-propylsulfonylethyl)piperazine is CCCS(=O)(=O)CCN1CC(CC)(CC)NCC1C1CC1.
What is the InChIKey of 2-cyclopropyl-5,5-diethyl-1-(2-propylsulfonylethyl)piperazine?
The InChIKey is BKBFGBPULDRPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-4-10-21(19,20)11-9-18-13-16(5-2,6-3)17-12-15(18)14-7-8-14/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 2-cyclopropyl-5,5-diethyl-1-(2-propylsulfonylethyl)piperazine?
2-cyclopropyl-5,5-diethyl-1-(2-propylsulfonylethyl)piperazine has a molecular weight of 316.51 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5,5-diethyl-1-(2-propylsulfonylethyl)piperazine is sourced from PubChem (CID 106733248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).