3-(diethylamino)propanethioamide

C7H16N2S — CID 15610363

IUPAC3-(diethylamino)propanethioamide
SMILESCCN(CC)CCC(N)=S
InChIInChI=1S/C7H16N2S/c1-3-9(4-2)6-5-7(8)10/h3-6H2,1-2H3,(H2,8,10)
InChIKeyDCEMAXWYIVBIDK-UHFFFAOYSA-N
MW160.29 g/mol
LogP1.00
Rot. Bonds5

About 3-(diethylamino)propanethioamide

3-(diethylamino)propanethioamide (PubChem CID 15610363) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is 3-(diethylamino)propanethioamide.

Molecular Properties

Compound Name3-(diethylamino)propanethioamide
PubChem CID15610363
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Name3-(diethylamino)propanethioamide
SMILESCCN(CC)CCC(N)=S
InChIInChI=1S/C7H16N2S/c1-3-9(4-2)6-5-7(8)10/h3-6H2,1-2H3,(H2,8,10)
InChIKeyDCEMAXWYIVBIDK-UHFFFAOYSA-N
XLogP1.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 51.00
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-(diethylamino)propanethioamide?
The IUPAC name of 3-(diethylamino)propanethioamide (CID 15610363) is 3-(diethylamino)propanethioamide.
What is the SMILES notation for 3-(diethylamino)propanethioamide?
The canonical SMILES for 3-(diethylamino)propanethioamide is CCN(CC)CCC(N)=S.
What is the InChIKey of 3-(diethylamino)propanethioamide?
The InChIKey is DCEMAXWYIVBIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-3-9(4-2)6-5-7(8)10/h3-6H2,1-2H3,(H2,8,10).
What are the key properties of 3-(diethylamino)propanethioamide?
3-(diethylamino)propanethioamide has a molecular weight of 160.29 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)propanethioamide is sourced from PubChem (CID 15610363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).