5,5-diethyl-2-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine

C15H30N2S — CID 80730112

IUPAC5,5-diethyl-2-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine
SMILESCCC1(CC)CN(CC2(C)CCCS2)C(C)CN1
InChIInChI=1S/C15H30N2S/c1-5-15(6-2)12-17(13(3)10-16-15)11-14(4)8-7-9-18-14/h13,16H,5-12H2,1-4H3
InChIKeyWKPWDHVAHKVDCW-UHFFFAOYSA-N
MW270.49 g/mol
LogP3.12
Rot. Bonds4

About 5,5-diethyl-2-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine

5,5-diethyl-2-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine (PubChem CID 80730112) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 5,5-diethyl-2-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine.

Molecular Properties

Compound Name5,5-diethyl-2-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine
PubChem CID80730112
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name5,5-diethyl-2-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine
SMILESCCC1(CC)CN(CC2(C)CCCS2)C(C)CN1
InChIInChI=1S/C15H30N2S/c1-5-15(6-2)12-17(13(3)10-16-15)11-14(4)8-7-9-18-14/h13,16H,5-12H2,1-4H3
InChIKeyWKPWDHVAHKVDCW-UHFFFAOYSA-N
XLogP3.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,5-diethyl-2-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine?
The IUPAC name of 5,5-diethyl-2-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine (CID 80730112) is 5,5-diethyl-2-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine.
What is the SMILES notation for 5,5-diethyl-2-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine?
The canonical SMILES for 5,5-diethyl-2-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine is CCC1(CC)CN(CC2(C)CCCS2)C(C)CN1.
What is the InChIKey of 5,5-diethyl-2-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine?
The InChIKey is WKPWDHVAHKVDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-5-15(6-2)12-17(13(3)10-16-15)11-14(4)8-7-9-18-14/h13,16H,5-12H2,1-4H3.
What are the key properties of 5,5-diethyl-2-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine?
5,5-diethyl-2-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine has a molecular weight of 270.49 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine is sourced from PubChem (CID 80730112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).