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

C8H18N2OS — CID 61448337

IUPAC3-[ethyl(2-methoxyethyl)amino]propanethioamide
SMILESCCN(CCOC)CCC(N)=S
InChIInChI=1S/C8H18N2OS/c1-3-10(6-7-11-2)5-4-8(9)12/h3-7H2,1-2H3,(H2,9,12)
InChIKeyLZGNOWRBWICWMG-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.63
Rot. Bonds7

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

3-[ethyl(2-methoxyethyl)amino]propanethioamide (PubChem CID 61448337) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 3-[ethyl(2-methoxyethyl)amino]propanethioamide.

Molecular Properties

Compound Name3-[ethyl(2-methoxyethyl)amino]propanethioamide
PubChem CID61448337
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name3-[ethyl(2-methoxyethyl)amino]propanethioamide
SMILESCCN(CCOC)CCC(N)=S
InChIInChI=1S/C8H18N2OS/c1-3-10(6-7-11-2)5-4-8(9)12/h3-7H2,1-2H3,(H2,9,12)
InChIKeyLZGNOWRBWICWMG-UHFFFAOYSA-N
XLogP0.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methoxyethyl)amino]propanethioamide?
The IUPAC name of 3-[ethyl(2-methoxyethyl)amino]propanethioamide (CID 61448337) is 3-[ethyl(2-methoxyethyl)amino]propanethioamide.
What is the SMILES notation for 3-[ethyl(2-methoxyethyl)amino]propanethioamide?
The canonical SMILES for 3-[ethyl(2-methoxyethyl)amino]propanethioamide is CCN(CCOC)CCC(N)=S.
What is the InChIKey of 3-[ethyl(2-methoxyethyl)amino]propanethioamide?
The InChIKey is LZGNOWRBWICWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-3-10(6-7-11-2)5-4-8(9)12/h3-7H2,1-2H3,(H2,9,12).
What are the key properties of 3-[ethyl(2-methoxyethyl)amino]propanethioamide?
3-[ethyl(2-methoxyethyl)amino]propanethioamide has a molecular weight of 190.31 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methoxyethyl)amino]propanethioamide is sourced from PubChem (CID 61448337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).