5-ethyl-2-(2-methylpropyl)-1-(2-propylsulfonylethyl)piperazine

C15H32N2O2S — CID 106732985

IUPAC5-ethyl-2-(2-methylpropyl)-1-(2-propylsulfonylethyl)piperazine
SMILESCCCS(=O)(=O)CCN1CC(CC)NCC1CC(C)C
InChIInChI=1S/C15H32N2O2S/c1-5-8-20(18,19)9-7-17-12-14(6-2)16-11-15(17)10-13(3)4/h13-16H,5-12H2,1-4H3
InChIKeyKHKPTMWMKVDRCM-UHFFFAOYSA-N
MW304.50 g/mol
LogP1.91
Rot. Bonds8

About 5-ethyl-2-(2-methylpropyl)-1-(2-propylsulfonylethyl)piperazine

5-ethyl-2-(2-methylpropyl)-1-(2-propylsulfonylethyl)piperazine (PubChem CID 106732985) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 5-ethyl-2-(2-methylpropyl)-1-(2-propylsulfonylethyl)piperazine.

Molecular Properties

Compound Name5-ethyl-2-(2-methylpropyl)-1-(2-propylsulfonylethyl)piperazine
PubChem CID106732985
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC Name5-ethyl-2-(2-methylpropyl)-1-(2-propylsulfonylethyl)piperazine
SMILESCCCS(=O)(=O)CCN1CC(CC)NCC1CC(C)C
InChIInChI=1S/C15H32N2O2S/c1-5-8-20(18,19)9-7-17-12-14(6-2)16-11-15(17)10-13(3)4/h13-16H,5-12H2,1-4H3
InChIKeyKHKPTMWMKVDRCM-UHFFFAOYSA-N
XLogP1.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-1-(3-ethylsulfonylpropyl)-2-(2-methylpropyl)piperazine
CID 65096899
2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
CID 64849321
2-(2-methylpropyl)-1-(2-propan-2-ylsulfonylethyl)-5-propylpiperazine
CID 106732868
1-(2-ethylsulfonylethyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 106732837
2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine
CID 65097214
5-ethyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine
CID 64841750
5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine
CID 64847770
1-(2-tert-butylsulfonylethyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 106733055
2-(2-methylpropyl)-1-pentyl-5-propylpiperazine
CID 64839965
5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine
CID 64841740
2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64848724
2-cyclopropyl-5-propyl-1-(2-propylsulfonylethyl)piperazine
CID 106732860

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-methylpropyl)-1-(2-propylsulfonylethyl)piperazine?
The IUPAC name of 5-ethyl-2-(2-methylpropyl)-1-(2-propylsulfonylethyl)piperazine (CID 106732985) is 5-ethyl-2-(2-methylpropyl)-1-(2-propylsulfonylethyl)piperazine.
What is the SMILES notation for 5-ethyl-2-(2-methylpropyl)-1-(2-propylsulfonylethyl)piperazine?
The canonical SMILES for 5-ethyl-2-(2-methylpropyl)-1-(2-propylsulfonylethyl)piperazine is CCCS(=O)(=O)CCN1CC(CC)NCC1CC(C)C.
What is the InChIKey of 5-ethyl-2-(2-methylpropyl)-1-(2-propylsulfonylethyl)piperazine?
The InChIKey is KHKPTMWMKVDRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-5-8-20(18,19)9-7-17-12-14(6-2)16-11-15(17)10-13(3)4/h13-16H,5-12H2,1-4H3.
What are the key properties of 5-ethyl-2-(2-methylpropyl)-1-(2-propylsulfonylethyl)piperazine?
5-ethyl-2-(2-methylpropyl)-1-(2-propylsulfonylethyl)piperazine has a molecular weight of 304.50 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-methylpropyl)-1-(2-propylsulfonylethyl)piperazine is sourced from PubChem (CID 106732985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).