ethane;1-(2,2,4-trimethyl-4-methylsulfanylpentyl)piperazine

C15H34N2S — CID 142386021

IUPACethane;1-(2,2,4-trimethyl-4-methylsulfanylpentyl)piperazine
SMILESCC.CSC(C)(C)CC(C)(C)CN1CCNCC1
InChIInChI=1S/C13H28N2S.C2H6/c1-12(2,10-13(3,4)16-5)11-15-8-6-14-7-9-15;1-2/h14H,6-11H2,1-5H3;1-2H3
InChIKeyDGMWDJBMGQEPFP-UHFFFAOYSA-N
MW274.52 g/mol
LogP3.48
Rot. Bonds5

About ethane;1-(2,2,4-trimethyl-4-methylsulfanylpentyl)piperazine

ethane;1-(2,2,4-trimethyl-4-methylsulfanylpentyl)piperazine (PubChem CID 142386021) has the molecular formula C15H34N2S and a molecular weight of 274.52 g/mol. Its IUPAC name is ethane;1-(2,2,4-trimethyl-4-methylsulfanylpentyl)piperazine.

Molecular Properties

Compound Nameethane;1-(2,2,4-trimethyl-4-methylsulfanylpentyl)piperazine
PubChem CID142386021
Molecular FormulaC15H34N2S
Molecular Weight274.52 g/mol
Exact Mass274.24
IUPAC Nameethane;1-(2,2,4-trimethyl-4-methylsulfanylpentyl)piperazine
SMILESCC.CSC(C)(C)CC(C)(C)CN1CCNCC1
InChIInChI=1S/C13H28N2S.C2H6/c1-12(2,10-13(3,4)16-5)11-15-8-6-14-7-9-15;1-2/h14H,6-11H2,1-5H3;1-2H3
InChIKeyDGMWDJBMGQEPFP-UHFFFAOYSA-N
XLogP3.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(2,2,4-trimethyl-4-methylsulfanylpentyl)piperazine?
The IUPAC name of ethane;1-(2,2,4-trimethyl-4-methylsulfanylpentyl)piperazine (CID 142386021) is ethane;1-(2,2,4-trimethyl-4-methylsulfanylpentyl)piperazine.
What is the SMILES notation for ethane;1-(2,2,4-trimethyl-4-methylsulfanylpentyl)piperazine?
The canonical SMILES for ethane;1-(2,2,4-trimethyl-4-methylsulfanylpentyl)piperazine is CC.CSC(C)(C)CC(C)(C)CN1CCNCC1.
What is the InChIKey of ethane;1-(2,2,4-trimethyl-4-methylsulfanylpentyl)piperazine?
The InChIKey is DGMWDJBMGQEPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S.C2H6/c1-12(2,10-13(3,4)16-5)11-15-8-6-14-7-9-15;1-2/h14H,6-11H2,1-5H3;1-2H3.
What are the key properties of ethane;1-(2,2,4-trimethyl-4-methylsulfanylpentyl)piperazine?
ethane;1-(2,2,4-trimethyl-4-methylsulfanylpentyl)piperazine has a molecular weight of 274.52 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2,2,4-trimethyl-4-methylsulfanylpentyl)piperazine is sourced from PubChem (CID 142386021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).