2-[1,4-bis(2-propan-2-ylsulfanylethyl)piperazin-2-yl]ethanol

C16H34N2OS2 — CID 122149564

IUPAC2-[1,4-bis(2-propan-2-ylsulfanylethyl)piperazin-2-yl]ethanol
SMILESCC(C)SCCN1CCN(CCSC(C)C)C(CCO)C1
InChIInChI=1S/C16H34N2OS2/c1-14(2)20-11-8-17-6-7-18(9-12-21-15(3)4)16(13-17)5-10-19/h14-16,19H,5-13H2,1-4H3
InChIKeyFXOGCPFMGDJMHR-UHFFFAOYSA-N
MW334.59 g/mol
LogP2.64
Rot. Bonds10

About 2-[1,4-bis(2-propan-2-ylsulfanylethyl)piperazin-2-yl]ethanol

2-[1,4-bis(2-propan-2-ylsulfanylethyl)piperazin-2-yl]ethanol (PubChem CID 122149564) has the molecular formula C16H34N2OS2 and a molecular weight of 334.59 g/mol. Its IUPAC name is 2-[1,4-bis(2-propan-2-ylsulfanylethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1,4-bis(2-propan-2-ylsulfanylethyl)piperazin-2-yl]ethanol
PubChem CID122149564
Molecular FormulaC16H34N2OS2
Molecular Weight334.59 g/mol
Exact Mass334.21
IUPAC Name2-[1,4-bis(2-propan-2-ylsulfanylethyl)piperazin-2-yl]ethanol
SMILESCC(C)SCCN1CCN(CCSC(C)C)C(CCO)C1
InChIInChI=1S/C16H34N2OS2/c1-14(2)20-11-8-17-6-7-18(9-12-21-15(3)4)16(13-17)5-10-19/h14-16,19H,5-13H2,1-4H3
InChIKeyFXOGCPFMGDJMHR-UHFFFAOYSA-N
XLogP2.64
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.59
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1,4-bis(2-propan-2-ylsulfanylethyl)piperazin-2-yl]ethanol 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 2-[1,4-bis(2-propan-2-ylsulfanylethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[1,4-bis(2-propan-2-ylsulfanylethyl)piperazin-2-yl]ethanol (CID 122149564) is 2-[1,4-bis(2-propan-2-ylsulfanylethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1,4-bis(2-propan-2-ylsulfanylethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1,4-bis(2-propan-2-ylsulfanylethyl)piperazin-2-yl]ethanol is CC(C)SCCN1CCN(CCSC(C)C)C(CCO)C1.
What is the InChIKey of 2-[1,4-bis(2-propan-2-ylsulfanylethyl)piperazin-2-yl]ethanol?
The InChIKey is FXOGCPFMGDJMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2OS2/c1-14(2)20-11-8-17-6-7-18(9-12-21-15(3)4)16(13-17)5-10-19/h14-16,19H,5-13H2,1-4H3.
What are the key properties of 2-[1,4-bis(2-propan-2-ylsulfanylethyl)piperazin-2-yl]ethanol?
2-[1,4-bis(2-propan-2-ylsulfanylethyl)piperazin-2-yl]ethanol has a molecular weight of 334.59 g/mol, XLogP of 2.64, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,4-bis(2-propan-2-ylsulfanylethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 122149564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).