3-[3-(diethylamino)pyrrolidin-1-yl]propanethioamide

C11H23N3S — CID 63169620

IUPAC3-[3-(diethylamino)pyrrolidin-1-yl]propanethioamide
SMILESCCN(CC)C1CCN(CCC(N)=S)C1
InChIInChI=1S/C11H23N3S/c1-3-14(4-2)10-5-7-13(9-10)8-6-11(12)15/h10H,3-9H2,1-2H3,(H2,12,15)
InChIKeyTZXQRVRXPUFDQY-UHFFFAOYSA-N
MW229.39 g/mol
LogP1.08
Rot. Bonds6

About 3-[3-(diethylamino)pyrrolidin-1-yl]propanethioamide

3-[3-(diethylamino)pyrrolidin-1-yl]propanethioamide (PubChem CID 63169620) has the molecular formula C11H23N3S and a molecular weight of 229.39 g/mol. Its IUPAC name is 3-[3-(diethylamino)pyrrolidin-1-yl]propanethioamide.

Molecular Properties

Compound Name3-[3-(diethylamino)pyrrolidin-1-yl]propanethioamide
PubChem CID63169620
Molecular FormulaC11H23N3S
Molecular Weight229.39 g/mol
Exact Mass229.16
IUPAC Name3-[3-(diethylamino)pyrrolidin-1-yl]propanethioamide
SMILESCCN(CC)C1CCN(CCC(N)=S)C1
InChIInChI=1S/C11H23N3S/c1-3-14(4-2)10-5-7-13(9-10)8-6-11(12)15/h10H,3-9H2,1-2H3,(H2,12,15)
InChIKeyTZXQRVRXPUFDQY-UHFFFAOYSA-N
XLogP1.08
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-ol
CID 63164582
4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 79361989
3-[3-(diethylamino)piperidin-1-yl]propanoic acid
CID 83840059
N-(3-aminopropyl)-3-[3-(diethylamino)pyrrolidin-1-yl]-N-methylpropanamide
CID 63172162
3-(3-methylpiperidin-1-yl)propanethioamide
CID 24690100
1-[(1-aminocyclopropyl)methyl]-N,N-diethylpyrrolidin-3-amine
CID 65459345
2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentanamide
CID 63165258
5-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide
CID 65258683
N,N-diethyl-1-[3-(methylamino)propyl]pyrrolidin-3-amine
CID 63164683
1-(2-aminoethyl)-N,N-diethylazepan-3-amine
CID 14210025
1-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentan-2-ol
CID 64820510
1-(4-chlorophenyl)-3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one
CID 63165624

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)pyrrolidin-1-yl]propanethioamide?
The IUPAC name of 3-[3-(diethylamino)pyrrolidin-1-yl]propanethioamide (CID 63169620) is 3-[3-(diethylamino)pyrrolidin-1-yl]propanethioamide.
What is the SMILES notation for 3-[3-(diethylamino)pyrrolidin-1-yl]propanethioamide?
The canonical SMILES for 3-[3-(diethylamino)pyrrolidin-1-yl]propanethioamide is CCN(CC)C1CCN(CCC(N)=S)C1.
What is the InChIKey of 3-[3-(diethylamino)pyrrolidin-1-yl]propanethioamide?
The InChIKey is TZXQRVRXPUFDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3S/c1-3-14(4-2)10-5-7-13(9-10)8-6-11(12)15/h10H,3-9H2,1-2H3,(H2,12,15).
What are the key properties of 3-[3-(diethylamino)pyrrolidin-1-yl]propanethioamide?
3-[3-(diethylamino)pyrrolidin-1-yl]propanethioamide has a molecular weight of 229.39 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)pyrrolidin-1-yl]propanethioamide is sourced from PubChem (CID 63169620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).