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

C15H30N2O2S — CID 64946742

IUPAC3-methyl-3-(2,5,5-triethylpiperazin-1-yl)thiolane 1,1-dioxide
SMILESCCC1CNC(CC)(CC)CN1C1(C)CCS(=O)(=O)C1
InChIInChI=1S/C15H30N2O2S/c1-5-13-10-16-15(6-2,7-3)11-17(13)14(4)8-9-20(18,19)12-14/h13,16H,5-12H2,1-4H3
InChIKeyDDCQZDYSZBAWKK-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.81
Rot. Bonds4

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

3-methyl-3-(2,5,5-triethylpiperazin-1-yl)thiolane 1,1-dioxide (PubChem CID 64946742) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 3-methyl-3-(2,5,5-triethylpiperazin-1-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-3-(2,5,5-triethylpiperazin-1-yl)thiolane 1,1-dioxide
PubChem CID64946742
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name3-methyl-3-(2,5,5-triethylpiperazin-1-yl)thiolane 1,1-dioxide
SMILESCCC1CNC(CC)(CC)CN1C1(C)CCS(=O)(=O)C1
InChIInChI=1S/C15H30N2O2S/c1-5-13-10-16-15(6-2,7-3)11-17(13)14(4)8-9-20(18,19)12-14/h13,16H,5-12H2,1-4H3
InChIKeyDDCQZDYSZBAWKK-UHFFFAOYSA-N
XLogP1.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5,5-dimethyl-1-(1-methylcyclopentyl)piperazine
CID 64940144
2,5,5-triethyl-1-methylpiperazine
CID 64859654
3-[(2,5,5-triethylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 64947359
2,5,5-triethyl-1-prop-2-ynylpiperazine
CID 64933788
3-methyl-3-(2-propan-2-yl-5-propylpiperazin-1-yl)thiolane 1,1-dioxide
CID 64948473
1-[(2,6-difluorophenyl)methyl]-2,5,5-triethylpiperazine
CID 114934626
2,5,5-triethyl-1-(2-methylsulfonylethyl)piperazine
CID 64861002
2,3-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine
CID 79407140
1-(3,5-dimethylcyclohexyl)-2,5,5-triethylpiperazine
CID 64940903
2,5,5-triethyl-1-(2-methylpentan-2-yl)piperazine
CID 113472027
2,5,5-triethyl-1-(4-propylcyclohexyl)piperazine
CID 64948411
6-ethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpiperazine-2,5-dione
CID 64967822

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2,5,5-triethylpiperazin-1-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-methyl-3-(2,5,5-triethylpiperazin-1-yl)thiolane 1,1-dioxide (CID 64946742) is 3-methyl-3-(2,5,5-triethylpiperazin-1-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-methyl-3-(2,5,5-triethylpiperazin-1-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-methyl-3-(2,5,5-triethylpiperazin-1-yl)thiolane 1,1-dioxide is CCC1CNC(CC)(CC)CN1C1(C)CCS(=O)(=O)C1.
What is the InChIKey of 3-methyl-3-(2,5,5-triethylpiperazin-1-yl)thiolane 1,1-dioxide?
The InChIKey is DDCQZDYSZBAWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-5-13-10-16-15(6-2,7-3)11-17(13)14(4)8-9-20(18,19)12-14/h13,16H,5-12H2,1-4H3.
What are the key properties of 3-methyl-3-(2,5,5-triethylpiperazin-1-yl)thiolane 1,1-dioxide?
3-methyl-3-(2,5,5-triethylpiperazin-1-yl)thiolane 1,1-dioxide has a molecular weight of 302.48 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2,5,5-triethylpiperazin-1-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 64946742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).