1-(2-tert-butylsulfonylethyl)-3-propylpiperazine

C13H28N2O2S — CID 106732688

IUPAC1-(2-tert-butylsulfonylethyl)-3-propylpiperazine
SMILESCCCC1CN(CCS(=O)(=O)C(C)(C)C)CCN1
InChIInChI=1S/C13H28N2O2S/c1-5-6-12-11-15(8-7-14-12)9-10-18(16,17)13(2,3)4/h12,14H,5-11H2,1-4H3
InChIKeySPQOTXBOVIMNPY-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.27
Rot. Bonds5

About 1-(2-tert-butylsulfonylethyl)-3-propylpiperazine

1-(2-tert-butylsulfonylethyl)-3-propylpiperazine (PubChem CID 106732688) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-(2-tert-butylsulfonylethyl)-3-propylpiperazine.

Molecular Properties

Compound Name1-(2-tert-butylsulfonylethyl)-3-propylpiperazine
PubChem CID106732688
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name1-(2-tert-butylsulfonylethyl)-3-propylpiperazine
SMILESCCCC1CN(CCS(=O)(=O)C(C)(C)C)CCN1
InChIInChI=1S/C13H28N2O2S/c1-5-6-12-11-15(8-7-14-12)9-10-18(16,17)13(2,3)4/h12,14H,5-11H2,1-4H3
InChIKeySPQOTXBOVIMNPY-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfonylethyl)-3-propylpiperazine?
The IUPAC name of 1-(2-tert-butylsulfonylethyl)-3-propylpiperazine (CID 106732688) is 1-(2-tert-butylsulfonylethyl)-3-propylpiperazine.
What is the SMILES notation for 1-(2-tert-butylsulfonylethyl)-3-propylpiperazine?
The canonical SMILES for 1-(2-tert-butylsulfonylethyl)-3-propylpiperazine is CCCC1CN(CCS(=O)(=O)C(C)(C)C)CCN1.
What is the InChIKey of 1-(2-tert-butylsulfonylethyl)-3-propylpiperazine?
The InChIKey is SPQOTXBOVIMNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-5-6-12-11-15(8-7-14-12)9-10-18(16,17)13(2,3)4/h12,14H,5-11H2,1-4H3.
What are the key properties of 1-(2-tert-butylsulfonylethyl)-3-propylpiperazine?
1-(2-tert-butylsulfonylethyl)-3-propylpiperazine has a molecular weight of 276.45 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfonylethyl)-3-propylpiperazine is sourced from PubChem (CID 106732688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).