2-[4-(2-hydroxysulfanylethyl)piperazin-1-yl]ethanol

C8H18N2O2S — CID 56951873

IUPAC2-[4-(2-hydroxysulfanylethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CCSO)CC1
InChIInChI=1S/C8H18N2O2S/c11-7-5-9-1-3-10(4-2-9)6-8-13-12/h11-12H,1-8H2
InChIKeyJBMGKGPXTLURJZ-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.20
Rot. Bonds5

About 2-[4-(2-hydroxysulfanylethyl)piperazin-1-yl]ethanol

2-[4-(2-hydroxysulfanylethyl)piperazin-1-yl]ethanol (PubChem CID 56951873) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-[4-(2-hydroxysulfanylethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-hydroxysulfanylethyl)piperazin-1-yl]ethanol
PubChem CID56951873
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-[4-(2-hydroxysulfanylethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CCSO)CC1
InChIInChI=1S/C8H18N2O2S/c11-7-5-9-1-3-10(4-2-9)6-8-13-12/h11-12H,1-8H2
InChIKeyJBMGKGPXTLURJZ-UHFFFAOYSA-N
XLogP-0.20
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-(2-hydroxysulfanylethyl)piperazin-1-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-[4-(2-hydroxysulfanylethyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2-hydroxysulfanylethyl)piperazin-1-yl]ethanol (CID 56951873) is 2-[4-(2-hydroxysulfanylethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-hydroxysulfanylethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-hydroxysulfanylethyl)piperazin-1-yl]ethanol is OCCN1CCN(CCSO)CC1.
What is the InChIKey of 2-[4-(2-hydroxysulfanylethyl)piperazin-1-yl]ethanol?
The InChIKey is JBMGKGPXTLURJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c11-7-5-9-1-3-10(4-2-9)6-8-13-12/h11-12H,1-8H2.
What are the key properties of 2-[4-(2-hydroxysulfanylethyl)piperazin-1-yl]ethanol?
2-[4-(2-hydroxysulfanylethyl)piperazin-1-yl]ethanol has a molecular weight of 206.31 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxysulfanylethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 56951873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).