bis(2-hydroxyethyl)-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanium

C10H20NO3S+ — CID 23535087

IUPACbis(2-hydroxyethyl)-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanium
SMILESO=C(C[S+](CCO)CCO)N1CCCC1
InChIInChI=1S/C10H20NO3S/c12-5-7-15(8-6-13)9-10(14)11-3-1-2-4-11/h12-13H,1-9H2/q+1
InChIKeyHGWUHLDJCPMJNW-UHFFFAOYSA-N
MW234.34 g/mol
LogP-0.79
Rot. Bonds6

About bis(2-hydroxyethyl)-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanium

bis(2-hydroxyethyl)-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanium (PubChem CID 23535087) has the molecular formula C10H20NO3S+ and a molecular weight of 234.34 g/mol. Its IUPAC name is bis(2-hydroxyethyl)-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanium.

Molecular Properties

Compound Namebis(2-hydroxyethyl)-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanium
PubChem CID23535087
Molecular FormulaC10H20NO3S+
Molecular Weight234.34 g/mol
Exact Mass234.12
IUPAC Namebis(2-hydroxyethyl)-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanium
SMILESO=C(C[S+](CCO)CCO)N1CCCC1
InChIInChI=1S/C10H20NO3S/c12-5-7-15(8-6-13)9-10(14)11-3-1-2-4-11/h12-13H,1-9H2/q+1
InChIKeyHGWUHLDJCPMJNW-UHFFFAOYSA-N
XLogP-0.79
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis(2-hydroxyethyl)-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Oxo-2-pyrrolidinylethylthio)acetic acid
CID 4449596
N-(3-hydroxypropyl)-4-thiazolidinone
CID 11955010
1-{2-[(2-Hydroxyethyl)sulfanyl]ethyl}pyrrolidin-2-one
CID 14553076
N,N-bis[3-(2-hydroxyethylsulfanyl)propyl]acetamide
CID 19389256
1-[1-(2-Hydroxyethylsulfanyl)ethyl]pyrrolidin-2-one
CID 22981903
2-(2-Pyrrolidin-1-ylethylsulfanyl)ethanol
CID 43393655
2-Propan-2-ylsulfanyl-1-pyrrolidin-1-ylethanone
CID 52140809
1-[1-(2-Hydroxyethylsulfanyl)propyl]pyrrolidin-2-one
CID 60022161
S-[3-[1-(hydroxymethyl)pyrrolidin-1-ium-1-yl]-2-methyl-3-oxopropyl] ethanethioate
CID 88787110
1-[1-(Hydroxymethyl)pyrrolidin-1-ium-1-yl]-3-sulfanylpropan-1-one
CID 88787156
N-ethyl-3-(2-hydroxyethylsulfanyl)-N-methylpropanamide
CID 126605296
1-[3-(2-Hydroxyethylsulfanyl)-3-methylbutyl]pyrrolidin-2-one
CID 139337896

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethyl)-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanium?
The IUPAC name of bis(2-hydroxyethyl)-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanium (CID 23535087) is bis(2-hydroxyethyl)-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanium.
What is the SMILES notation for bis(2-hydroxyethyl)-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanium?
The canonical SMILES for bis(2-hydroxyethyl)-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanium is O=C(C[S+](CCO)CCO)N1CCCC1.
What is the InChIKey of bis(2-hydroxyethyl)-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanium?
The InChIKey is HGWUHLDJCPMJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO3S/c12-5-7-15(8-6-13)9-10(14)11-3-1-2-4-11/h12-13H,1-9H2/q+1.
What are the key properties of bis(2-hydroxyethyl)-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanium?
bis(2-hydroxyethyl)-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanium has a molecular weight of 234.34 g/mol, XLogP of -0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl)-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanium is sourced from PubChem (CID 23535087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).