5,5-diethyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine

C16H32N2S — CID 107298471

IUPAC5,5-diethyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine
SMILESCCC1(CC)CN(CC2CCSC2)C(C(C)C)CN1
InChIInChI=1S/C16H32N2S/c1-5-16(6-2)12-18(10-14-7-8-19-11-14)15(9-17-16)13(3)4/h13-15,17H,5-12H2,1-4H3
InChIKeyTZNVKQGIQHIOHB-UHFFFAOYSA-N
MW284.51 g/mol
LogP3.23
Rot. Bonds5

About 5,5-diethyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine

5,5-diethyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine (PubChem CID 107298471) has the molecular formula C16H32N2S and a molecular weight of 284.51 g/mol. Its IUPAC name is 5,5-diethyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine.

Molecular Properties

Compound Name5,5-diethyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine
PubChem CID107298471
Molecular FormulaC16H32N2S
Molecular Weight284.51 g/mol
Exact Mass284.23
IUPAC Name5,5-diethyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine
SMILESCCC1(CC)CN(CC2CCSC2)C(C(C)C)CN1
InChIInChI=1S/C16H32N2S/c1-5-16(6-2)12-18(10-14-7-8-19-11-14)15(9-17-16)13(3)4/h13-15,17H,5-12H2,1-4H3
InChIKeyTZNVKQGIQHIOHB-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.51
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine?
The IUPAC name of 5,5-diethyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine (CID 107298471) is 5,5-diethyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine.
What is the SMILES notation for 5,5-diethyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine?
The canonical SMILES for 5,5-diethyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine is CCC1(CC)CN(CC2CCSC2)C(C(C)C)CN1.
What is the InChIKey of 5,5-diethyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine?
The InChIKey is TZNVKQGIQHIOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2S/c1-5-16(6-2)12-18(10-14-7-8-19-11-14)15(9-17-16)13(3)4/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 5,5-diethyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine?
5,5-diethyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine has a molecular weight of 284.51 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine is sourced from PubChem (CID 107298471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).