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

C5H12N2OS — CID 39160398

IUPAC2-[2-hydroxyethyl(methyl)amino]ethanethioamide
SMILESCN(CCO)CC(N)=S
InChIInChI=1S/C5H12N2OS/c1-7(2-3-8)4-5(6)9/h8H,2-4H2,1H3,(H2,6,9)
InChIKeyHSIFHULJAQLFJF-UHFFFAOYSA-N
MW148.23 g/mol
LogP-0.80
Rot. Bonds4

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

2-[2-hydroxyethyl(methyl)amino]ethanethioamide (PubChem CID 39160398) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]ethanethioamide
PubChem CID39160398
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Name2-[2-hydroxyethyl(methyl)amino]ethanethioamide
SMILESCN(CCO)CC(N)=S
InChIInChI=1S/C5H12N2OS/c1-7(2-3-8)4-5(6)9/h8H,2-4H2,1H3,(H2,6,9)
InChIKeyHSIFHULJAQLFJF-UHFFFAOYSA-N
XLogP-0.80
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.80
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-[2-hydroxyethyl(methyl)amino]ethanethioamide?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]ethanethioamide (CID 39160398) is 2-[2-hydroxyethyl(methyl)amino]ethanethioamide.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]ethanethioamide?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]ethanethioamide is CN(CCO)CC(N)=S.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]ethanethioamide?
The InChIKey is HSIFHULJAQLFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-7(2-3-8)4-5(6)9/h8H,2-4H2,1H3,(H2,6,9).
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]ethanethioamide?
2-[2-hydroxyethyl(methyl)amino]ethanethioamide has a molecular weight of 148.23 g/mol, XLogP of -0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)amino]ethanethioamide is sourced from PubChem (CID 39160398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).