3-[(2,5,5-triethylpiperazin-1-yl)methyl]thiolane 1,1-dioxide

C15H30N2O2S — CID 64947359

IUPAC3-[(2,5,5-triethylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
SMILESCCC1CNC(CC)(CC)CN1CC1CCS(=O)(=O)C1
InChIInChI=1S/C15H30N2O2S/c1-4-14-9-16-15(5-2,6-3)12-17(14)10-13-7-8-20(18,19)11-13/h13-14,16H,4-12H2,1-3H3
InChIKeyYHLXWJTXHSSTNA-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.66
Rot. Bonds5

About 3-[(2,5,5-triethylpiperazin-1-yl)methyl]thiolane 1,1-dioxide

3-[(2,5,5-triethylpiperazin-1-yl)methyl]thiolane 1,1-dioxide (PubChem CID 64947359) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 3-[(2,5,5-triethylpiperazin-1-yl)methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[(2,5,5-triethylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
PubChem CID64947359
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name3-[(2,5,5-triethylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
SMILESCCC1CNC(CC)(CC)CN1CC1CCS(=O)(=O)C1
InChIInChI=1S/C15H30N2O2S/c1-4-14-9-16-15(5-2,6-3)12-17(14)10-13-7-8-20(18,19)11-13/h13-14,16H,4-12H2,1-3H3
InChIKeyYHLXWJTXHSSTNA-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5,5-diethyl-2-methylpiperazin-1-yl)thiolane 1,1-dioxide
CID 64930017
3-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 64947362
3-[(5-ethyl-2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 64947185
2,5,5-triethyl-1-methylpiperazine
CID 64859654
3-methyl-3-(2,5,5-triethylpiperazin-1-yl)thiolane 1,1-dioxide
CID 64946742
2,5,5-triethyl-1-(2-methylsulfonylethyl)piperazine
CID 64861002
2,5-diethyl-1-[(4-ethylcyclohexyl)methyl]-5-methylpiperazine
CID 64946947
3-[2-(2-ethylpiperidin-2-yl)ethyl]thiolane 1,1-dioxide
CID 117271576
2,5,5-triethyl-1-(4-propylcyclohexyl)piperazine
CID 64948411
3-ethyl-4-[(1-methylpiperidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64946723
2,5,5-triethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
CID 64862346
3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-methylimidazolidin-4-one
CID 83251863

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5,5-triethylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
The IUPAC name of 3-[(2,5,5-triethylpiperazin-1-yl)methyl]thiolane 1,1-dioxide (CID 64947359) is 3-[(2,5,5-triethylpiperazin-1-yl)methyl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[(2,5,5-triethylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[(2,5,5-triethylpiperazin-1-yl)methyl]thiolane 1,1-dioxide is CCC1CNC(CC)(CC)CN1CC1CCS(=O)(=O)C1.
What is the InChIKey of 3-[(2,5,5-triethylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
The InChIKey is YHLXWJTXHSSTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-4-14-9-16-15(5-2,6-3)12-17(14)10-13-7-8-20(18,19)11-13/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 3-[(2,5,5-triethylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
3-[(2,5,5-triethylpiperazin-1-yl)methyl]thiolane 1,1-dioxide has a molecular weight of 302.48 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5,5-triethylpiperazin-1-yl)methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 64947359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).