5-butan-2-yl-1-(3-ethylsulfonylpropyl)-2,2-dimethylpiperazine

C15H32N2O2S — CID 65097377

IUPAC5-butan-2-yl-1-(3-ethylsulfonylpropyl)-2,2-dimethylpiperazine
SMILESCCC(C)C1CN(CCCS(=O)(=O)CC)C(C)(C)CN1
InChIInChI=1S/C15H32N2O2S/c1-6-13(3)14-11-17(15(4,5)12-16-14)9-8-10-20(18,19)7-2/h13-14,16H,6-12H2,1-5H3
InChIKeyIPLXQBOITOJJRM-UHFFFAOYSA-N
MW304.50 g/mol
LogP1.91
Rot. Bonds7

About 5-butan-2-yl-1-(3-ethylsulfonylpropyl)-2,2-dimethylpiperazine

5-butan-2-yl-1-(3-ethylsulfonylpropyl)-2,2-dimethylpiperazine (PubChem CID 65097377) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 5-butan-2-yl-1-(3-ethylsulfonylpropyl)-2,2-dimethylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-(3-ethylsulfonylpropyl)-2,2-dimethylpiperazine
PubChem CID65097377
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC Name5-butan-2-yl-1-(3-ethylsulfonylpropyl)-2,2-dimethylpiperazine
SMILESCCC(C)C1CN(CCCS(=O)(=O)CC)C(C)(C)CN1
InChIInChI=1S/C15H32N2O2S/c1-6-13(3)14-11-17(15(4,5)12-16-14)9-8-10-20(18,19)7-2/h13-14,16H,6-12H2,1-5H3
InChIKeyIPLXQBOITOJJRM-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-(3-ethylsulfonylpropyl)-2,2-dimethylpiperazine?
The IUPAC name of 5-butan-2-yl-1-(3-ethylsulfonylpropyl)-2,2-dimethylpiperazine (CID 65097377) is 5-butan-2-yl-1-(3-ethylsulfonylpropyl)-2,2-dimethylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-(3-ethylsulfonylpropyl)-2,2-dimethylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-(3-ethylsulfonylpropyl)-2,2-dimethylpiperazine is CCC(C)C1CN(CCCS(=O)(=O)CC)C(C)(C)CN1.
What is the InChIKey of 5-butan-2-yl-1-(3-ethylsulfonylpropyl)-2,2-dimethylpiperazine?
The InChIKey is IPLXQBOITOJJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-6-13(3)14-11-17(15(4,5)12-16-14)9-8-10-20(18,19)7-2/h13-14,16H,6-12H2,1-5H3.
What are the key properties of 5-butan-2-yl-1-(3-ethylsulfonylpropyl)-2,2-dimethylpiperazine?
5-butan-2-yl-1-(3-ethylsulfonylpropyl)-2,2-dimethylpiperazine has a molecular weight of 304.50 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-(3-ethylsulfonylpropyl)-2,2-dimethylpiperazine is sourced from PubChem (CID 65097377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).