3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]propanethioamide

C11H24N2O2S — CID 103409810

IUPAC3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]propanethioamide
SMILESCCN(CCCOCCOC)CCC(N)=S
InChIInChI=1S/C11H24N2O2S/c1-3-13(7-5-11(12)16)6-4-8-15-10-9-14-2/h3-10H2,1-2H3,(H2,12,16)
InChIKeyQHKPTFOIBFZCOQ-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.04
Rot. Bonds11

About 3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]propanethioamide

3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]propanethioamide (PubChem CID 103409810) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]propanethioamide.

Molecular Properties

Compound Name3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]propanethioamide
PubChem CID103409810
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]propanethioamide
SMILESCCN(CCCOCCOC)CCC(N)=S
InChIInChI=1S/C11H24N2O2S/c1-3-13(7-5-11(12)16)6-4-8-15-10-9-14-2/h3-10H2,1-2H3,(H2,12,16)
InChIKeyQHKPTFOIBFZCOQ-UHFFFAOYSA-N
XLogP1.04
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-[ethyl(2-methoxyethyl)amino]butanethioamide
CID 61448533
4-(2-methoxyethoxy)butanethioamide
CID 24699894
2-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxyethanimidamide
CID 103409988
3-[2-(2-methoxyethoxy)ethoxy]propanethioamide
CID 104561947
N-(3-amino-3-sulfanylidenepropyl)-3-[3-(2-methoxyethoxy)propoxy]-N-methylpropanamide
CID 103402594
3-[2-(3-methoxypropoxy)ethyl-(2-methylpropyl)amino]propanethioamide
CID 103179742
4-(3-methoxypropoxy)butanethioamide
CID 60917615
3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]propanethioamide
CID 106452807
3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 103409983
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide
CID 62588562
N-(3-amino-3-sulfanylidenepropyl)-N-(3-methoxypropyl)propanamide
CID 82103541
N-ethyl-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 143003406

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]propanethioamide?
The IUPAC name of 3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]propanethioamide (CID 103409810) is 3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]propanethioamide.
What is the SMILES notation for 3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]propanethioamide?
The canonical SMILES for 3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]propanethioamide is CCN(CCCOCCOC)CCC(N)=S.
What is the InChIKey of 3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]propanethioamide?
The InChIKey is QHKPTFOIBFZCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-3-13(7-5-11(12)16)6-4-8-15-10-9-14-2/h3-10H2,1-2H3,(H2,12,16).
What are the key properties of 3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]propanethioamide?
3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]propanethioamide has a molecular weight of 248.39 g/mol, XLogP of 1.04, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]propanethioamide is sourced from PubChem (CID 103409810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).