3-(dibutylamino)propanethioamide

C11H24N2S — CID 28983101

IUPAC3-(dibutylamino)propanethioamide
SMILESCCCCN(CCCC)CCC(N)=S
InChIInChI=1S/C11H24N2S/c1-3-5-8-13(9-6-4-2)10-7-11(12)14/h3-10H2,1-2H3,(H2,12,14)
InChIKeyWFADWIYZIGFKTM-UHFFFAOYSA-N
MW216.39 g/mol
LogP2.56
Rot. Bonds9

About 3-(dibutylamino)propanethioamide

3-(dibutylamino)propanethioamide (PubChem CID 28983101) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 3-(dibutylamino)propanethioamide.

Molecular Properties

Compound Name3-(dibutylamino)propanethioamide
PubChem CID28983101
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name3-(dibutylamino)propanethioamide
SMILESCCCCN(CCCC)CCC(N)=S
InChIInChI=1S/C11H24N2S/c1-3-5-8-13(9-6-4-2)10-7-11(12)14/h3-10H2,1-2H3,(H2,12,14)
InChIKeyWFADWIYZIGFKTM-UHFFFAOYSA-N
XLogP2.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 52.56
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-(dibutylamino)propanethioamide?
The IUPAC name of 3-(dibutylamino)propanethioamide (CID 28983101) is 3-(dibutylamino)propanethioamide.
What is the SMILES notation for 3-(dibutylamino)propanethioamide?
The canonical SMILES for 3-(dibutylamino)propanethioamide is CCCCN(CCCC)CCC(N)=S.
What is the InChIKey of 3-(dibutylamino)propanethioamide?
The InChIKey is WFADWIYZIGFKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-3-5-8-13(9-6-4-2)10-7-11(12)14/h3-10H2,1-2H3,(H2,12,14).
What are the key properties of 3-(dibutylamino)propanethioamide?
3-(dibutylamino)propanethioamide has a molecular weight of 216.39 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)propanethioamide is sourced from PubChem (CID 28983101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).