3-(5,5-diethyl-2-methylpiperazin-1-yl)thiolane 1,1-dioxide

C13H26N2O2S — CID 64930017

IUPAC3-(5,5-diethyl-2-methylpiperazin-1-yl)thiolane 1,1-dioxide
SMILESCCC1(CC)CN(C2CCS(=O)(=O)C2)C(C)CN1
InChIInChI=1S/C13H26N2O2S/c1-4-13(5-2)10-15(11(3)8-14-13)12-6-7-18(16,17)9-12/h11-12,14H,4-10H2,1-3H3
InChIKeyAHIVXBOBWOQDNZ-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.03
Rot. Bonds3

About 3-(5,5-diethyl-2-methylpiperazin-1-yl)thiolane 1,1-dioxide

3-(5,5-diethyl-2-methylpiperazin-1-yl)thiolane 1,1-dioxide (PubChem CID 64930017) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 3-(5,5-diethyl-2-methylpiperazin-1-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(5,5-diethyl-2-methylpiperazin-1-yl)thiolane 1,1-dioxide
PubChem CID64930017
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name3-(5,5-diethyl-2-methylpiperazin-1-yl)thiolane 1,1-dioxide
SMILESCCC1(CC)CN(C2CCS(=O)(=O)C2)C(C)CN1
InChIInChI=1S/C13H26N2O2S/c1-4-13(5-2)10-15(11(3)8-14-13)12-6-7-18(16,17)9-12/h11-12,14H,4-10H2,1-3H3
InChIKeyAHIVXBOBWOQDNZ-UHFFFAOYSA-N
XLogP1.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-5,5-diethyl-2-methylpiperazine
CID 64948334
1-(1-cyclopropylpyrrolidin-3-yl)-5,5-diethyl-2-methylpiperazine
CID 64946348
4-(2,5,5-trimethylpiperazin-1-yl)thiane 1,1-dioxide
CID 64933302
5,5-diethyl-2-methyl-1-(2-methylcyclopropyl)piperazine
CID 64948522
3-[(2,5,5-triethylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 64947359
1-cycloheptyl-3,3-diethyl-7-methyl-1,4-diazepane
CID 82936957
3-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)thiane 1,1-dioxide
CID 64939489
1-cyclobutyl-5,5-diethyl-2-propan-2-ylpiperazine
CID 64948342
2,5,5-triethyl-1-(3-methylcyclohexyl)piperazine
CID 64935770
5,5-diethyl-1-(3-methylcyclohexyl)-2-propan-2-ylpiperazine
CID 64934232
1-(3,5-dimethylcyclohexyl)-2,5,5-triethylpiperazine
CID 64940903
3-(5,5-dimethyl-2-phenylpiperazin-1-yl)thiolane 1,1-dioxide
CID 64932194

Frequently Asked Questions

What is the IUPAC name of 3-(5,5-diethyl-2-methylpiperazin-1-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(5,5-diethyl-2-methylpiperazin-1-yl)thiolane 1,1-dioxide (CID 64930017) is 3-(5,5-diethyl-2-methylpiperazin-1-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(5,5-diethyl-2-methylpiperazin-1-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(5,5-diethyl-2-methylpiperazin-1-yl)thiolane 1,1-dioxide is CCC1(CC)CN(C2CCS(=O)(=O)C2)C(C)CN1.
What is the InChIKey of 3-(5,5-diethyl-2-methylpiperazin-1-yl)thiolane 1,1-dioxide?
The InChIKey is AHIVXBOBWOQDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-4-13(5-2)10-15(11(3)8-14-13)12-6-7-18(16,17)9-12/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 3-(5,5-diethyl-2-methylpiperazin-1-yl)thiolane 1,1-dioxide?
3-(5,5-diethyl-2-methylpiperazin-1-yl)thiolane 1,1-dioxide has a molecular weight of 274.43 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-diethyl-2-methylpiperazin-1-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 64930017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).