3-[butyl(ethyl)amino]propanethioamide

C9H20N2S — CID 24691670

IUPAC3-[butyl(ethyl)amino]propanethioamide
SMILESCCCCN(CC)CCC(N)=S
InChIInChI=1S/C9H20N2S/c1-3-5-7-11(4-2)8-6-9(10)12/h3-8H2,1-2H3,(H2,10,12)
InChIKeyDFHZBYXHRZEXMA-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.78
Rot. Bonds7

About 3-[butyl(ethyl)amino]propanethioamide

3-[butyl(ethyl)amino]propanethioamide (PubChem CID 24691670) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 3-[butyl(ethyl)amino]propanethioamide.

Molecular Properties

Compound Name3-[butyl(ethyl)amino]propanethioamide
PubChem CID24691670
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name3-[butyl(ethyl)amino]propanethioamide
SMILESCCCCN(CC)CCC(N)=S
InChIInChI=1S/C9H20N2S/c1-3-5-7-11(4-2)8-6-9(10)12/h3-8H2,1-2H3,(H2,10,12)
InChIKeyDFHZBYXHRZEXMA-UHFFFAOYSA-N
XLogP1.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[butyl(ethyl)amino]propanethioamide?
The IUPAC name of 3-[butyl(ethyl)amino]propanethioamide (CID 24691670) is 3-[butyl(ethyl)amino]propanethioamide.
What is the SMILES notation for 3-[butyl(ethyl)amino]propanethioamide?
The canonical SMILES for 3-[butyl(ethyl)amino]propanethioamide is CCCCN(CC)CCC(N)=S.
What is the InChIKey of 3-[butyl(ethyl)amino]propanethioamide?
The InChIKey is DFHZBYXHRZEXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-3-5-7-11(4-2)8-6-9(10)12/h3-8H2,1-2H3,(H2,10,12).
What are the key properties of 3-[butyl(ethyl)amino]propanethioamide?
3-[butyl(ethyl)amino]propanethioamide has a molecular weight of 188.34 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(ethyl)amino]propanethioamide is sourced from PubChem (CID 24691670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).