2-[ethyl(2-hydroxyethyl)amino]ethanethioamide

C6H14N2OS — CID 39160393

IUPAC2-[ethyl(2-hydroxyethyl)amino]ethanethioamide
SMILESCCN(CCO)CC(N)=S
InChIInChI=1S/C6H14N2OS/c1-2-8(3-4-9)5-6(7)10/h9H,2-5H2,1H3,(H2,7,10)
InChIKeyOQWFHHKPJJRSCY-UHFFFAOYSA-N
MW162.26 g/mol
LogP-0.41
Rot. Bonds5

About 2-[ethyl(2-hydroxyethyl)amino]ethanethioamide

2-[ethyl(2-hydroxyethyl)amino]ethanethioamide (PubChem CID 39160393) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)amino]ethanethioamide
PubChem CID39160393
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC Name2-[ethyl(2-hydroxyethyl)amino]ethanethioamide
SMILESCCN(CCO)CC(N)=S
InChIInChI=1S/C6H14N2OS/c1-2-8(3-4-9)5-6(7)10/h9H,2-5H2,1H3,(H2,7,10)
InChIKeyOQWFHHKPJJRSCY-UHFFFAOYSA-N
XLogP-0.41
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]ethanethioamide?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]ethanethioamide (CID 39160393) is 2-[ethyl(2-hydroxyethyl)amino]ethanethioamide.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)amino]ethanethioamide?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)amino]ethanethioamide is CCN(CCO)CC(N)=S.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)amino]ethanethioamide?
The InChIKey is OQWFHHKPJJRSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-2-8(3-4-9)5-6(7)10/h9H,2-5H2,1H3,(H2,7,10).
What are the key properties of 2-[ethyl(2-hydroxyethyl)amino]ethanethioamide?
2-[ethyl(2-hydroxyethyl)amino]ethanethioamide has a molecular weight of 162.26 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)amino]ethanethioamide is sourced from PubChem (CID 39160393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).