2-cyclopropyl-5,5-diethyl-1-(2-methylsulfanylethyl)piperazine

C14H28N2S — CID 113474584

IUPAC2-cyclopropyl-5,5-diethyl-1-(2-methylsulfanylethyl)piperazine
SMILESCCC1(CC)CN(CCSC)C(C2CC2)CN1
InChIInChI=1S/C14H28N2S/c1-4-14(5-2)11-16(8-9-17-3)13(10-15-14)12-6-7-12/h12-13,15H,4-11H2,1-3H3
InChIKeyDLWZUTDZPPHLTJ-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.59
Rot. Bonds6

About 2-cyclopropyl-5,5-diethyl-1-(2-methylsulfanylethyl)piperazine

2-cyclopropyl-5,5-diethyl-1-(2-methylsulfanylethyl)piperazine (PubChem CID 113474584) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 2-cyclopropyl-5,5-diethyl-1-(2-methylsulfanylethyl)piperazine.

Molecular Properties

Compound Name2-cyclopropyl-5,5-diethyl-1-(2-methylsulfanylethyl)piperazine
PubChem CID113474584
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name2-cyclopropyl-5,5-diethyl-1-(2-methylsulfanylethyl)piperazine
SMILESCCC1(CC)CN(CCSC)C(C2CC2)CN1
InChIInChI=1S/C14H28N2S/c1-4-14(5-2)11-16(8-9-17-3)13(10-15-14)12-6-7-12/h12-13,15H,4-11H2,1-3H3
InChIKeyDLWZUTDZPPHLTJ-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5,5-diethyl-1-(2-methylsulfanylethyl)piperazine?
The IUPAC name of 2-cyclopropyl-5,5-diethyl-1-(2-methylsulfanylethyl)piperazine (CID 113474584) is 2-cyclopropyl-5,5-diethyl-1-(2-methylsulfanylethyl)piperazine.
What is the SMILES notation for 2-cyclopropyl-5,5-diethyl-1-(2-methylsulfanylethyl)piperazine?
The canonical SMILES for 2-cyclopropyl-5,5-diethyl-1-(2-methylsulfanylethyl)piperazine is CCC1(CC)CN(CCSC)C(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-5,5-diethyl-1-(2-methylsulfanylethyl)piperazine?
The InChIKey is DLWZUTDZPPHLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-4-14(5-2)11-16(8-9-17-3)13(10-15-14)12-6-7-12/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 2-cyclopropyl-5,5-diethyl-1-(2-methylsulfanylethyl)piperazine?
2-cyclopropyl-5,5-diethyl-1-(2-methylsulfanylethyl)piperazine has a molecular weight of 256.46 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5,5-diethyl-1-(2-methylsulfanylethyl)piperazine is sourced from PubChem (CID 113474584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).