3-(dimethylamino)propanethioamide;hydrochloride

C5H13ClN2S — CID 18941118

IUPAC3-(dimethylamino)propanethioamide;hydrochloride
SMILESCN(C)CCC(N)=S.Cl
InChIInChI=1S/C5H12N2S.ClH/c1-7(2)4-3-5(6)8;/h3-4H2,1-2H3,(H2,6,8);1H
InChIKeyHBMJCGSHZCTAJX-UHFFFAOYSA-N
MW168.69 g/mol
LogP0.65
Rot. Bonds3

About 3-(dimethylamino)propanethioamide;hydrochloride

3-(dimethylamino)propanethioamide;hydrochloride (PubChem CID 18941118) has the molecular formula C5H13ClN2S and a molecular weight of 168.69 g/mol. Its IUPAC name is 3-(dimethylamino)propanethioamide;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)propanethioamide;hydrochloride
PubChem CID18941118
Molecular FormulaC5H13ClN2S
Molecular Weight168.69 g/mol
Exact Mass168.05
IUPAC Name3-(dimethylamino)propanethioamide;hydrochloride
SMILESCN(C)CCC(N)=S.Cl
InChIInChI=1S/C5H12N2S.ClH/c1-7(2)4-3-5(6)8;/h3-4H2,1-2H3,(H2,6,8);1H
InChIKeyHBMJCGSHZCTAJX-UHFFFAOYSA-N
XLogP0.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.69
LogP ≤ 50.65
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;hydrochloride?
The IUPAC name of 3-(dimethylamino)propanethioamide;hydrochloride (CID 18941118) is 3-(dimethylamino)propanethioamide;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)propanethioamide;hydrochloride?
The canonical SMILES for 3-(dimethylamino)propanethioamide;hydrochloride is CN(C)CCC(N)=S.Cl.
What is the InChIKey of 3-(dimethylamino)propanethioamide;hydrochloride?
The InChIKey is HBMJCGSHZCTAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S.ClH/c1-7(2)4-3-5(6)8;/h3-4H2,1-2H3,(H2,6,8);1H.
What are the key properties of 3-(dimethylamino)propanethioamide;hydrochloride?
3-(dimethylamino)propanethioamide;hydrochloride has a molecular weight of 168.69 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propanethioamide;hydrochloride is sourced from PubChem (CID 18941118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).