3-(dipropylamino)propanethioamide

C9H20N2S — CID 24694719

IUPAC3-(dipropylamino)propanethioamide
SMILESCCCN(CCC)CCC(N)=S
InChIInChI=1S/C9H20N2S/c1-3-6-11(7-4-2)8-5-9(10)12/h3-8H2,1-2H3,(H2,10,12)
InChIKeyMAGDWANQWWZSPA-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.78
Rot. Bonds7

About 3-(dipropylamino)propanethioamide

3-(dipropylamino)propanethioamide (PubChem CID 24694719) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 3-(dipropylamino)propanethioamide.

Molecular Properties

Compound Name3-(dipropylamino)propanethioamide
PubChem CID24694719
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name3-(dipropylamino)propanethioamide
SMILESCCCN(CCC)CCC(N)=S
InChIInChI=1S/C9H20N2S/c1-3-6-11(7-4-2)8-5-9(10)12/h3-8H2,1-2H3,(H2,10,12)
InChIKeyMAGDWANQWWZSPA-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-(dipropylamino)propanethioamide?
The IUPAC name of 3-(dipropylamino)propanethioamide (CID 24694719) is 3-(dipropylamino)propanethioamide.
What is the SMILES notation for 3-(dipropylamino)propanethioamide?
The canonical SMILES for 3-(dipropylamino)propanethioamide is CCCN(CCC)CCC(N)=S.
What is the InChIKey of 3-(dipropylamino)propanethioamide?
The InChIKey is MAGDWANQWWZSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-3-6-11(7-4-2)8-5-9(10)12/h3-8H2,1-2H3,(H2,10,12).
What are the key properties of 3-(dipropylamino)propanethioamide?
3-(dipropylamino)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-(dipropylamino)propanethioamide is sourced from PubChem (CID 24694719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).