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

C15H30N2S — CID 80730833

IUPAC2,5-diethyl-5-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine
SMILESCCC1CNC(C)(CC)CN1CC1(C)CCCS1
InChIInChI=1S/C15H30N2S/c1-5-13-10-16-14(3,6-2)11-17(13)12-15(4)8-7-9-18-15/h13,16H,5-12H2,1-4H3
InChIKeyHQBTUCHHYXFZKZ-UHFFFAOYSA-N
MW270.49 g/mol
LogP3.12
Rot. Bonds4

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

2,5-diethyl-5-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine (PubChem CID 80730833) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 2,5-diethyl-5-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine.

Molecular Properties

Compound Name2,5-diethyl-5-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine
PubChem CID80730833
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name2,5-diethyl-5-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine
SMILESCCC1CNC(C)(CC)CN1CC1(C)CCCS1
InChIInChI=1S/C15H30N2S/c1-5-13-10-16-14(3,6-2)11-17(13)12-15(4)8-7-9-18-15/h13,16H,5-12H2,1-4H3
InChIKeyHQBTUCHHYXFZKZ-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 2,5-diethyl-5-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

Related Compounds

3-Aminomethyl-2-methyl-3-athyl-thiomorpholin
CID 110192120
[5-Methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine
CID 79949744
N-[(2-methylthiolan-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 80722722
N-[(3-fluoropiperidin-3-yl)methyl]thiolan-3-amine
CID 105473224
4-(Pyrrolidin-2-ylmethyl)thiomorpholine
CID 20581138
4-{[(2S)-Pyrrolidin-2-yl]methyl}thiomorpholine
CID 28787653
1-[(Thiolan-2-yl)methyl]piperazine
CID 53719936
9-Tert-butyl-1-thia-4,9-diazaspiro[4.5]decane
CID 58245057
4-Tert-butyl-1-thia-4,8-diazaspiro[4.5]decane
CID 58245087
4-Tert-butyl-1-thia-4,9-diazaspiro[4.5]decane
CID 58245165
4-Ethyl-1-thia-4,9-diazaspiro[4.5]decane
CID 58245514
8-Tert-butyl-1-thia-4,8-diazaspiro[4.5]decane
CID 58959518

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-5-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine?
The IUPAC name of 2,5-diethyl-5-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine (CID 80730833) is 2,5-diethyl-5-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine.
What is the SMILES notation for 2,5-diethyl-5-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine?
The canonical SMILES for 2,5-diethyl-5-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine is CCC1CNC(C)(CC)CN1CC1(C)CCCS1.
What is the InChIKey of 2,5-diethyl-5-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine?
The InChIKey is HQBTUCHHYXFZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-5-13-10-16-14(3,6-2)11-17(13)12-15(4)8-7-9-18-15/h13,16H,5-12H2,1-4H3.
What are the key properties of 2,5-diethyl-5-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine?
2,5-diethyl-5-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 2,5-diethyl-5-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine is sourced from PubChem (CID 80730833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).