3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]propanethioamide

C11H24N2OS — CID 106452807

IUPAC3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]propanethioamide
SMILESCCN(CCOCC(C)C)CCC(N)=S
InChIInChI=1S/C11H24N2OS/c1-4-13(6-5-11(12)15)7-8-14-9-10(2)3/h10H,4-9H2,1-3H3,(H2,12,15)
InChIKeyASWMSSFNVFTKKT-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.66
Rot. Bonds9

About 3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]propanethioamide

3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]propanethioamide (PubChem CID 106452807) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]propanethioamide.

Molecular Properties

Compound Name3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]propanethioamide
PubChem CID106452807
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]propanethioamide
SMILESCCN(CCOCC(C)C)CCC(N)=S
InChIInChI=1S/C11H24N2OS/c1-4-13(6-5-11(12)15)7-8-14-9-10(2)3/h10H,4-9H2,1-3H3,(H2,12,15)
InChIKeyASWMSSFNVFTKKT-UHFFFAOYSA-N
XLogP1.66
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl-[2-(2-methylpropoxy)ethyl]amino]ethanethioamide
CID 106452819
1-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropan-2-ol
CID 106456234
3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]propanethioamide
CID 103409810
3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropanimidamide
CID 106453223
3-[2-(3-methoxypropoxy)ethyl-(2-methylpropyl)amino]propanethioamide
CID 103179742
4-[ethyl(2-methoxyethyl)amino]butanethioamide
CID 61448533
1-[2-(diethylamino)ethoxy]propan-2-ol
CID 15233137
3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanethioamide
CID 61484284
2-[ethyl(2-propoxyethyl)amino]ethanethioamide
CID 106452820
3-[ethyl(2-propoxyethyl)amino]-2-methylpropanethioamide
CID 106452806
3-[[ethyl-[2-(2-methylpropoxy)ethyl]amino]methyl]aniline
CID 106453553
3-[2-[2-(2-cyanopropoxy)ethyl-ethylamino]ethoxy]-2-methylpropanenitrile
CID 54560247

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]propanethioamide?
The IUPAC name of 3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]propanethioamide (CID 106452807) is 3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]propanethioamide.
What is the SMILES notation for 3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]propanethioamide?
The canonical SMILES for 3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]propanethioamide is CCN(CCOCC(C)C)CCC(N)=S.
What is the InChIKey of 3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]propanethioamide?
The InChIKey is ASWMSSFNVFTKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-4-13(6-5-11(12)15)7-8-14-9-10(2)3/h10H,4-9H2,1-3H3,(H2,12,15).
What are the key properties of 3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]propanethioamide?
3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]propanethioamide has a molecular weight of 232.39 g/mol, XLogP of 1.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]propanethioamide is sourced from PubChem (CID 106452807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).