3-(dimethylamino)propanethioamide

C5H12N2S — CID 18941119

IUPAC3-(dimethylamino)propanethioamide
SMILESCN(C)CCC(N)=S
InChIInChI=1S/C5H12N2S/c1-7(2)4-3-5(6)8/h3-4H2,1-2H3,(H2,6,8)
InChIKeyAPWATHHHOCAOLI-UHFFFAOYSA-N
MW132.23 g/mol
LogP0.22
Rot. Bonds3

About 3-(dimethylamino)propanethioamide

3-(dimethylamino)propanethioamide (PubChem CID 18941119) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is 3-(dimethylamino)propanethioamide.

Molecular Properties

Compound Name3-(dimethylamino)propanethioamide
PubChem CID18941119
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC Name3-(dimethylamino)propanethioamide
SMILESCN(C)CCC(N)=S
InChIInChI=1S/C5H12N2S/c1-7(2)4-3-5(6)8/h3-4H2,1-2H3,(H2,6,8)
InChIKeyAPWATHHHOCAOLI-UHFFFAOYSA-N
XLogP0.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.22
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-(dimethylamino)propanethioamide?
The IUPAC name of 3-(dimethylamino)propanethioamide (CID 18941119) is 3-(dimethylamino)propanethioamide.
What is the SMILES notation for 3-(dimethylamino)propanethioamide?
The canonical SMILES for 3-(dimethylamino)propanethioamide is CN(C)CCC(N)=S.
What is the InChIKey of 3-(dimethylamino)propanethioamide?
The InChIKey is APWATHHHOCAOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S/c1-7(2)4-3-5(6)8/h3-4H2,1-2H3,(H2,6,8).
What are the key properties of 3-(dimethylamino)propanethioamide?
3-(dimethylamino)propanethioamide has a molecular weight of 132.23 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propanethioamide is sourced from PubChem (CID 18941119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).