2,5-di(propan-2-yl)-1-(2-propylsulfonylethyl)piperazine

C15H32N2O2S — CID 106732887

IUPAC2,5-di(propan-2-yl)-1-(2-propylsulfonylethyl)piperazine
SMILESCCCS(=O)(=O)CCN1CC(C(C)C)NCC1C(C)C
InChIInChI=1S/C15H32N2O2S/c1-6-8-20(18,19)9-7-17-11-14(12(2)3)16-10-15(17)13(4)5/h12-16H,6-11H2,1-5H3
InChIKeyRSXCISNUUGZGOE-UHFFFAOYSA-N
MW304.50 g/mol
LogP1.77
Rot. Bonds7

About 2,5-di(propan-2-yl)-1-(2-propylsulfonylethyl)piperazine

2,5-di(propan-2-yl)-1-(2-propylsulfonylethyl)piperazine (PubChem CID 106732887) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1-(2-propylsulfonylethyl)piperazine.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-1-(2-propylsulfonylethyl)piperazine
PubChem CID106732887
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC Name2,5-di(propan-2-yl)-1-(2-propylsulfonylethyl)piperazine
SMILESCCCS(=O)(=O)CCN1CC(C(C)C)NCC1C(C)C
InChIInChI=1S/C15H32N2O2S/c1-6-8-20(18,19)9-7-17-11-14(12(2)3)16-10-15(17)13(4)5/h12-16H,6-11H2,1-5H3
InChIKeyRSXCISNUUGZGOE-UHFFFAOYSA-N
XLogP1.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-3-propan-2-yl-1-(2-propylsulfonylethyl)-1,4-diazepane
CID 106733370
2-butan-2-yl-5-methyl-1-(2-propylsulfonylethyl)piperazine
CID 106732802
3-propan-2-yl-1-(2-propylsulfonylethyl)piperazine
CID 106732690
2,5-di(propan-2-yl)-1-(3-propoxypropyl)piperazine
CID 82947777
2-ethyl-1-(3-ethylsulfonylpropyl)-5-propan-2-ylpiperazine
CID 65097314
5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine
CID 64841740
1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine
CID 65097056
1-(2-piperidin-1-ylethyl)-2,5-di(propan-2-yl)piperazine
CID 82249272
5-ethyl-2-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 106732978
5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine
CID 65097323
5-ethyl-2-(2-methylpropyl)-1-(2-propylsulfonylethyl)piperazine
CID 106732985
2,5-di(propan-2-yl)-1-prop-2-ynylpiperazine
CID 64937920

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-1-(2-propylsulfonylethyl)piperazine?
The IUPAC name of 2,5-di(propan-2-yl)-1-(2-propylsulfonylethyl)piperazine (CID 106732887) is 2,5-di(propan-2-yl)-1-(2-propylsulfonylethyl)piperazine.
What is the SMILES notation for 2,5-di(propan-2-yl)-1-(2-propylsulfonylethyl)piperazine?
The canonical SMILES for 2,5-di(propan-2-yl)-1-(2-propylsulfonylethyl)piperazine is CCCS(=O)(=O)CCN1CC(C(C)C)NCC1C(C)C.
What is the InChIKey of 2,5-di(propan-2-yl)-1-(2-propylsulfonylethyl)piperazine?
The InChIKey is RSXCISNUUGZGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-6-8-20(18,19)9-7-17-11-14(12(2)3)16-10-15(17)13(4)5/h12-16H,6-11H2,1-5H3.
What are the key properties of 2,5-di(propan-2-yl)-1-(2-propylsulfonylethyl)piperazine?
2,5-di(propan-2-yl)-1-(2-propylsulfonylethyl)piperazine has a molecular weight of 304.50 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-1-(2-propylsulfonylethyl)piperazine is sourced from PubChem (CID 106732887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).