2,5,5-triethyl-1-(3-ethylsulfonylpropyl)-2-methylpiperazine

C16H34N2O2S — CID 65097219

IUPAC2,5,5-triethyl-1-(3-ethylsulfonylpropyl)-2-methylpiperazine
SMILESCCC1(CC)CN(CCCS(=O)(=O)CC)C(C)(CC)CN1
InChIInChI=1S/C16H34N2O2S/c1-6-15(5)13-17-16(7-2,8-3)14-18(15)11-10-12-21(19,20)9-4/h17H,6-14H2,1-5H3
InChIKeySLUVYQPDHDZPRD-UHFFFAOYSA-N
MW318.53 g/mol
LogP2.44
Rot. Bonds8

About 2,5,5-triethyl-1-(3-ethylsulfonylpropyl)-2-methylpiperazine

2,5,5-triethyl-1-(3-ethylsulfonylpropyl)-2-methylpiperazine (PubChem CID 65097219) has the molecular formula C16H34N2O2S and a molecular weight of 318.53 g/mol. Its IUPAC name is 2,5,5-triethyl-1-(3-ethylsulfonylpropyl)-2-methylpiperazine.

Molecular Properties

Compound Name2,5,5-triethyl-1-(3-ethylsulfonylpropyl)-2-methylpiperazine
PubChem CID65097219
Molecular FormulaC16H34N2O2S
Molecular Weight318.53 g/mol
Exact Mass318.23
IUPAC Name2,5,5-triethyl-1-(3-ethylsulfonylpropyl)-2-methylpiperazine
SMILESCCC1(CC)CN(CCCS(=O)(=O)CC)C(C)(CC)CN1
InChIInChI=1S/C16H34N2O2S/c1-6-15(5)13-17-16(7-2,8-3)14-18(15)11-10-12-21(19,20)9-4/h17H,6-14H2,1-5H3
InChIKeySLUVYQPDHDZPRD-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(3-ethylsulfonylpropyl)-2,5,5-trimethylpiperazine
CID 65097594
2,5-diethyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine
CID 65097597
2,5,5-triethyl-1-(2-fluoroethyl)-2-methylpiperazine
CID 80696303
2,2,5,5-tetraethyl-1-(2-ethylsulfonylethyl)piperazine
CID 106733258
2,5,5-triethyl-2-methyl-1-(3-methylbutyl)piperazine
CID 64860265
1-butyl-2,5-diethyl-2,5-dimethylpiperazine
CID 64849689
2,5,5-triethyl-2-methyl-1-(2-methylbutyl)piperazine
CID 64861806
5,5-diethyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 106733253
5,5-diethyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine
CID 65097167
5-ethyl-2,2,5-trimethyl-1-(3-methylsulfonylpropyl)piperazine
CID 64849852
2,2-diethyl-1-(3-ethylsulfonylpropyl)-5-methylpiperazine
CID 65096895
2,2-diethyl-1-(2-ethylsulfonylethyl)-5,5-dimethylpiperazine
CID 106732956

Frequently Asked Questions

What is the IUPAC name of 2,5,5-triethyl-1-(3-ethylsulfonylpropyl)-2-methylpiperazine?
The IUPAC name of 2,5,5-triethyl-1-(3-ethylsulfonylpropyl)-2-methylpiperazine (CID 65097219) is 2,5,5-triethyl-1-(3-ethylsulfonylpropyl)-2-methylpiperazine.
What is the SMILES notation for 2,5,5-triethyl-1-(3-ethylsulfonylpropyl)-2-methylpiperazine?
The canonical SMILES for 2,5,5-triethyl-1-(3-ethylsulfonylpropyl)-2-methylpiperazine is CCC1(CC)CN(CCCS(=O)(=O)CC)C(C)(CC)CN1.
What is the InChIKey of 2,5,5-triethyl-1-(3-ethylsulfonylpropyl)-2-methylpiperazine?
The InChIKey is SLUVYQPDHDZPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2S/c1-6-15(5)13-17-16(7-2,8-3)14-18(15)11-10-12-21(19,20)9-4/h17H,6-14H2,1-5H3.
What are the key properties of 2,5,5-triethyl-1-(3-ethylsulfonylpropyl)-2-methylpiperazine?
2,5,5-triethyl-1-(3-ethylsulfonylpropyl)-2-methylpiperazine has a molecular weight of 318.53 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-triethyl-1-(3-ethylsulfonylpropyl)-2-methylpiperazine is sourced from PubChem (CID 65097219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).