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

C9H20N2OS — CID 106452820

IUPAC2-[ethyl(2-propoxyethyl)amino]ethanethioamide
SMILESCCCOCCN(CC)CC(N)=S
InChIInChI=1S/C9H20N2OS/c1-3-6-12-7-5-11(4-2)8-9(10)13/h3-8H2,1-2H3,(H2,10,13)
InChIKeyPWNZLJPYSFZGEB-UHFFFAOYSA-N
MW204.34 g/mol
LogP1.02
Rot. Bonds8

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

2-[ethyl(2-propoxyethyl)amino]ethanethioamide (PubChem CID 106452820) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 2-[ethyl(2-propoxyethyl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[ethyl(2-propoxyethyl)amino]ethanethioamide
PubChem CID106452820
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name2-[ethyl(2-propoxyethyl)amino]ethanethioamide
SMILESCCCOCCN(CC)CC(N)=S
InChIInChI=1S/C9H20N2OS/c1-3-6-12-7-5-11(4-2)8-9(10)13/h3-8H2,1-2H3,(H2,10,13)
InChIKeyPWNZLJPYSFZGEB-UHFFFAOYSA-N
XLogP1.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 51.02
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
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propylamino]ethanethioamide
CID 104563118
3-[ethyl(2-propoxyethyl)amino]-2-methylpropanethioamide
CID 106452806
2-(2-propoxyethoxy)ethanethioamide
CID 63686022
N'-ethyl-N'-(2-propoxyethyl)propane-1,3-diamine
CID 106450802
3-propoxypropanethioamide
CID 43248084
3-bromo-N-ethyl-N-(2-propoxyethyl)propan-1-amine
CID 106457825
3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]propanethioamide
CID 106452807
2-[2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol
CID 54156133
2-[2-ethoxyethyl(ethyl)amino]ethanimidamide
CID 63697565
2-[2-hydroxyethyl(propyl)amino]ethanethioamide
CID 61424622
methyl 2-[(2-methoxy-2-oxoethyl)-(2-propoxyethyl)amino]acetate
CID 106456115

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-propoxyethyl)amino]ethanethioamide?
The IUPAC name of 2-[ethyl(2-propoxyethyl)amino]ethanethioamide (CID 106452820) is 2-[ethyl(2-propoxyethyl)amino]ethanethioamide.
What is the SMILES notation for 2-[ethyl(2-propoxyethyl)amino]ethanethioamide?
The canonical SMILES for 2-[ethyl(2-propoxyethyl)amino]ethanethioamide is CCCOCCN(CC)CC(N)=S.
What is the InChIKey of 2-[ethyl(2-propoxyethyl)amino]ethanethioamide?
The InChIKey is PWNZLJPYSFZGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-3-6-12-7-5-11(4-2)8-9(10)13/h3-8H2,1-2H3,(H2,10,13).
What are the key properties of 2-[ethyl(2-propoxyethyl)amino]ethanethioamide?
2-[ethyl(2-propoxyethyl)amino]ethanethioamide has a molecular weight of 204.34 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-propoxyethyl)amino]ethanethioamide is sourced from PubChem (CID 106452820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).