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

C10H22N2OS — CID 106452819

IUPAC2-[ethyl-[2-(2-methylpropoxy)ethyl]amino]ethanethioamide
SMILESCCN(CCOCC(C)C)CC(N)=S
InChIInChI=1S/C10H22N2OS/c1-4-12(7-10(11)14)5-6-13-8-9(2)3/h9H,4-8H2,1-3H3,(H2,11,14)
InChIKeyLSTJDDQJJZGLGJ-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.27
Rot. Bonds8

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

2-[ethyl-[2-(2-methylpropoxy)ethyl]amino]ethanethioamide (PubChem CID 106452819) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 2-[ethyl-[2-(2-methylpropoxy)ethyl]amino]ethanethioamide.

Molecular Properties

Compound Name2-[ethyl-[2-(2-methylpropoxy)ethyl]amino]ethanethioamide
PubChem CID106452819
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name2-[ethyl-[2-(2-methylpropoxy)ethyl]amino]ethanethioamide
SMILESCCN(CCOCC(C)C)CC(N)=S
InChIInChI=1S/C10H22N2OS/c1-4-12(7-10(11)14)5-6-13-8-9(2)3/h9H,4-8H2,1-3H3,(H2,11,14)
InChIKeyLSTJDDQJJZGLGJ-UHFFFAOYSA-N
XLogP1.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.27
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

3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]propanethioamide
CID 106452807
2-[ethyl(2-propoxyethyl)amino]ethanethioamide
CID 106452820
1-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropan-2-ol
CID 106456234
3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropanimidamide
CID 106453223
1-[2-(diethylamino)ethoxy]propan-2-ol
CID 15233137
2-[ethyl(2-propan-2-ylsulfonylethyl)amino]ethanethioamide
CID 106724838
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propylamino]ethanethioamide
CID 104563118
3-[ethyl(2-propoxyethyl)amino]-2-methylpropanethioamide
CID 106452806
N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
CID 62565030
ethyl 2-[2-(2-methylpropoxy)ethyl-prop-2-enylamino]acetate
CID 106456146
3-[[ethyl-[2-(2-methylpropoxy)ethyl]amino]methyl]aniline
CID 106453553
2-[4-methylpentyl(propyl)amino]ethanethioamide
CID 83156045

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(2-methylpropoxy)ethyl]amino]ethanethioamide?
The IUPAC name of 2-[ethyl-[2-(2-methylpropoxy)ethyl]amino]ethanethioamide (CID 106452819) is 2-[ethyl-[2-(2-methylpropoxy)ethyl]amino]ethanethioamide.
What is the SMILES notation for 2-[ethyl-[2-(2-methylpropoxy)ethyl]amino]ethanethioamide?
The canonical SMILES for 2-[ethyl-[2-(2-methylpropoxy)ethyl]amino]ethanethioamide is CCN(CCOCC(C)C)CC(N)=S.
What is the InChIKey of 2-[ethyl-[2-(2-methylpropoxy)ethyl]amino]ethanethioamide?
The InChIKey is LSTJDDQJJZGLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-4-12(7-10(11)14)5-6-13-8-9(2)3/h9H,4-8H2,1-3H3,(H2,11,14).
What are the key properties of 2-[ethyl-[2-(2-methylpropoxy)ethyl]amino]ethanethioamide?
2-[ethyl-[2-(2-methylpropoxy)ethyl]amino]ethanethioamide has a molecular weight of 218.37 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(2-methylpropoxy)ethyl]amino]ethanethioamide is sourced from PubChem (CID 106452819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).