N-[2-(dimethylamino)propanethioyl]acetamide

C7H14N2OS — CID 173408091

IUPACN-[2-(dimethylamino)propanethioyl]acetamide
SMILESCC(=O)NC(=S)C(C)N(C)C
InChIInChI=1S/C7H14N2OS/c1-5(9(3)4)7(11)8-6(2)10/h5H,1-4H3,(H,8,10,11)
InChIKeySXKRDMDNOJUEPQ-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.40
Rot. Bonds2

About N-[2-(dimethylamino)propanethioyl]acetamide

N-[2-(dimethylamino)propanethioyl]acetamide (PubChem CID 173408091) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is N-[2-(dimethylamino)propanethioyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)propanethioyl]acetamide
PubChem CID173408091
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC NameN-[2-(dimethylamino)propanethioyl]acetamide
SMILESCC(=O)NC(=S)C(C)N(C)C
InChIInChI=1S/C7H14N2OS/c1-5(9(3)4)7(11)8-6(2)10/h5H,1-4H3,(H,8,10,11)
InChIKeySXKRDMDNOJUEPQ-UHFFFAOYSA-N
XLogP0.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[2-(dimethylamino)propanethioyl]acetamide?
The IUPAC name of N-[2-(dimethylamino)propanethioyl]acetamide (CID 173408091) is N-[2-(dimethylamino)propanethioyl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)propanethioyl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)propanethioyl]acetamide is CC(=O)NC(=S)C(C)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)propanethioyl]acetamide?
The InChIKey is SXKRDMDNOJUEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-5(9(3)4)7(11)8-6(2)10/h5H,1-4H3,(H,8,10,11).
What are the key properties of N-[2-(dimethylamino)propanethioyl]acetamide?
N-[2-(dimethylamino)propanethioyl]acetamide has a molecular weight of 174.27 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)propanethioyl]acetamide is sourced from PubChem (CID 173408091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).