3-[3-methoxypropyl(methyl)amino]propanethioamide

C8H18N2OS — CID 60926210

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

About 3-[3-methoxypropyl(methyl)amino]propanethioamide

3-[3-methoxypropyl(methyl)amino]propanethioamide (PubChem CID 60926210) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 3-[3-methoxypropyl(methyl)amino]propanethioamide.

Molecular Properties

Compound Name3-[3-methoxypropyl(methyl)amino]propanethioamide
PubChem CID60926210
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name3-[3-methoxypropyl(methyl)amino]propanethioamide
SMILESCOCCCN(C)CCC(N)=S
InChIInChI=1S/C8H18N2OS/c1-10(5-3-7-11-2)6-4-8(9)12/h3-7H2,1-2H3,(H2,9,12)
InChIKeyHNFCGCYJHASUSK-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-[3-methoxypropyl(methyl)amino]propanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxypropyl(methyl)amino]propanethioamide?
The IUPAC name of 3-[3-methoxypropyl(methyl)amino]propanethioamide (CID 60926210) is 3-[3-methoxypropyl(methyl)amino]propanethioamide.
What is the SMILES notation for 3-[3-methoxypropyl(methyl)amino]propanethioamide?
The canonical SMILES for 3-[3-methoxypropyl(methyl)amino]propanethioamide is COCCCN(C)CCC(N)=S.
What is the InChIKey of 3-[3-methoxypropyl(methyl)amino]propanethioamide?
The InChIKey is HNFCGCYJHASUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-10(5-3-7-11-2)6-4-8(9)12/h3-7H2,1-2H3,(H2,9,12).
What are the key properties of 3-[3-methoxypropyl(methyl)amino]propanethioamide?
3-[3-methoxypropyl(methyl)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-[3-methoxypropyl(methyl)amino]propanethioamide is sourced from PubChem (CID 60926210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).