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

C11H16N2OS — CID 84749659

IUPAC2-[2-hydroxyethyl(methyl)amino]-2-phenylethanethioamide
SMILESCN(CCO)C(C(N)=S)c1ccccc1
InChIInChI=1S/C11H16N2OS/c1-13(7-8-14)10(11(12)15)9-5-3-2-4-6-9/h2-6,10,14H,7-8H2,1H3,(H2,12,15)
InChIKeyHYLNVAZQMRIULG-UHFFFAOYSA-N
MW224.33 g/mol
LogP0.94
Rot. Bonds5

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

2-[2-hydroxyethyl(methyl)amino]-2-phenylethanethioamide (PubChem CID 84749659) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]-2-phenylethanethioamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]-2-phenylethanethioamide
PubChem CID84749659
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-[2-hydroxyethyl(methyl)amino]-2-phenylethanethioamide
SMILESCN(CCO)C(C(N)=S)c1ccccc1
InChIInChI=1S/C11H16N2OS/c1-13(7-8-14)10(11(12)15)9-5-3-2-4-6-9/h2-6,10,14H,7-8H2,1H3,(H2,12,15)
InChIKeyHYLNVAZQMRIULG-UHFFFAOYSA-N
XLogP0.94
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxyethyl(methyl)amino]-2-thiophen-3-ylethanethioamide
CID 84749719
2-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide
CID 84749678
2-[benzyl(methyl)amino]-2-(4-fluorophenyl)ethanethioamide
CID 84749344
2-(3-ethoxy-2-hydroxyphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanethioamide
CID 84749695
3-amino-N-(2-hydroxyethyl)-N-pentan-3-yl-2-phenyl-3-sulfanylidenepropanamide
CID 62878262
2-[2-hydroxyethyl(methyl)amino]-1,2-diphenylethanol
CID 14391199
2-[butyl(methyl)amino]-2-(3-fluorophenyl)ethanethioamide
CID 84749871
cumene;methane;2-[methyl(propan-2-yl)amino]ethanol;yttrium
CID 157250683
2-[2-hydroxyethyl(propan-2-yl)amino]-2-phenylacetic acid
CID 54994766
3-[methyl(propan-2-yl)amino]-2-phenylpropanethioamide
CID 64535916
2-[benzyl(methyl)amino]-2-thiophen-3-ylethanethioamide
CID 84749380
2-[butyl(methyl)amino]-2-(4-ethoxyphenyl)ethanethioamide
CID 84749859

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-2-phenylethanethioamide?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-2-phenylethanethioamide (CID 84749659) is 2-[2-hydroxyethyl(methyl)amino]-2-phenylethanethioamide.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]-2-phenylethanethioamide?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]-2-phenylethanethioamide is CN(CCO)C(C(N)=S)c1ccccc1.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]-2-phenylethanethioamide?
The InChIKey is HYLNVAZQMRIULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-13(7-8-14)10(11(12)15)9-5-3-2-4-6-9/h2-6,10,14H,7-8H2,1H3,(H2,12,15).
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]-2-phenylethanethioamide?
2-[2-hydroxyethyl(methyl)amino]-2-phenylethanethioamide has a molecular weight of 224.33 g/mol, XLogP of 0.94, 5 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]-2-phenylethanethioamide is sourced from PubChem (CID 84749659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).