N,N-dimethyl-2-(methylamino)ethanethioamide

C5H12N2S — CID 89279941

IUPACN,N-dimethyl-2-(methylamino)ethanethioamide
SMILESCNCC(=S)N(C)C
InChIInChI=1S/C5H12N2S/c1-6-4-5(8)7(2)3/h6H,4H2,1-3H3
InChIKeyYWHMIIMPCZLMKK-UHFFFAOYSA-N
MW132.23 g/mol
LogP0.09
Rot. Bonds2

About N,N-dimethyl-2-(methylamino)ethanethioamide

N,N-dimethyl-2-(methylamino)ethanethioamide (PubChem CID 89279941) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is N,N-dimethyl-2-(methylamino)ethanethioamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(methylamino)ethanethioamide
PubChem CID89279941
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC NameN,N-dimethyl-2-(methylamino)ethanethioamide
SMILESCNCC(=S)N(C)C
InChIInChI=1S/C5H12N2S/c1-6-4-5(8)7(2)3/h6H,4H2,1-3H3
InChIKeyYWHMIIMPCZLMKK-UHFFFAOYSA-N
XLogP0.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-2-(methylamino)ethanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methylamino)ethanedithioic acid
CID 141088793
N,N-dimethyl-2-(methylamino)acetamide;sulfuric acid
CID 87663506
N-hydroxy-N-methyl-2-(methylamino)acetamide
CID 131096928
2-(dimethylamino)-N-methyl-2-sulfanylideneacetamide
CID 55288321
N-[(Z)-1-iodo-2-methyl-3-(methylamino)prop-1-enyl]ethanethioamide
CID 135275872
potassium N-methyl-N-(methylaminomethyl)carbamodithioate
CID 172768730
methane;N-methyl-2-(methylamino)-N-[2-(methylamino)ethyl]acetamide
CID 160845776
N-ethyl-N-methyl-2-(methylamino)acetamide
CID 18683928
thiourea;1,1,3-trimethylthiourea
CID 159738783
N,2,3-trimethylbut-2-en-1-amine
CID 87064863
1-N,2-N-dimethyl-2-N-prop-2-enylprop-2-ene-1,2-diamine
CID 153334785
[[methyl(methylaminomethyl)amino]methylamino]methanol
CID 129163630

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(methylamino)ethanethioamide?
The IUPAC name of N,N-dimethyl-2-(methylamino)ethanethioamide (CID 89279941) is N,N-dimethyl-2-(methylamino)ethanethioamide.
What is the SMILES notation for N,N-dimethyl-2-(methylamino)ethanethioamide?
The canonical SMILES for N,N-dimethyl-2-(methylamino)ethanethioamide is CNCC(=S)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(methylamino)ethanethioamide?
The InChIKey is YWHMIIMPCZLMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S/c1-6-4-5(8)7(2)3/h6H,4H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(methylamino)ethanethioamide?
N,N-dimethyl-2-(methylamino)ethanethioamide has a molecular weight of 132.23 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(methylamino)ethanethioamide is sourced from PubChem (CID 89279941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).