2-[2-acetamidoethyl(ethyl)amino]ethyl hydrogen sulfate

C8H18N2O5S — CID 167111786

IUPAC2-[2-acetamidoethyl(ethyl)amino]ethyl hydrogen sulfate
SMILESCCN(CCNC(C)=O)CCOS(=O)(=O)O
InChIInChI=1S/C8H18N2O5S/c1-3-10(5-4-9-8(2)11)6-7-15-16(12,13)14/h3-7H2,1-2H3,(H,9,11)(H,12,13,14)
InChIKeyQFODXEKBXOLPMV-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.74
Rot. Bonds8

About 2-[2-acetamidoethyl(ethyl)amino]ethyl hydrogen sulfate

2-[2-acetamidoethyl(ethyl)amino]ethyl hydrogen sulfate (PubChem CID 167111786) has the molecular formula C8H18N2O5S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[2-acetamidoethyl(ethyl)amino]ethyl hydrogen sulfate.

Molecular Properties

Compound Name2-[2-acetamidoethyl(ethyl)amino]ethyl hydrogen sulfate
PubChem CID167111786
Molecular FormulaC8H18N2O5S
Molecular Weight254.31 g/mol
Exact Mass254.09
IUPAC Name2-[2-acetamidoethyl(ethyl)amino]ethyl hydrogen sulfate
SMILESCCN(CCNC(C)=O)CCOS(=O)(=O)O
InChIInChI=1S/C8H18N2O5S/c1-3-10(5-4-9-8(2)11)6-7-15-16(12,13)14/h3-7H2,1-2H3,(H,9,11)(H,12,13,14)
InChIKeyQFODXEKBXOLPMV-UHFFFAOYSA-N
XLogP-0.74
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-[2-acetamidoethyl(ethyl)amino]ethyl hydrogen sulfate 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-[2-acetamidoethyl(ethyl)amino]ethyl hydrogen sulfate?
The IUPAC name of 2-[2-acetamidoethyl(ethyl)amino]ethyl hydrogen sulfate (CID 167111786) is 2-[2-acetamidoethyl(ethyl)amino]ethyl hydrogen sulfate.
What is the SMILES notation for 2-[2-acetamidoethyl(ethyl)amino]ethyl hydrogen sulfate?
The canonical SMILES for 2-[2-acetamidoethyl(ethyl)amino]ethyl hydrogen sulfate is CCN(CCNC(C)=O)CCOS(=O)(=O)O.
What is the InChIKey of 2-[2-acetamidoethyl(ethyl)amino]ethyl hydrogen sulfate?
The InChIKey is QFODXEKBXOLPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O5S/c1-3-10(5-4-9-8(2)11)6-7-15-16(12,13)14/h3-7H2,1-2H3,(H,9,11)(H,12,13,14).
What are the key properties of 2-[2-acetamidoethyl(ethyl)amino]ethyl hydrogen sulfate?
2-[2-acetamidoethyl(ethyl)amino]ethyl hydrogen sulfate has a molecular weight of 254.31 g/mol, XLogP of -0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetamidoethyl(ethyl)amino]ethyl hydrogen sulfate is sourced from PubChem (CID 167111786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).