methyl N'-acetyl-N,N-dimethylcarbamimidothioate

C6H12N2OS — CID 23405776

IUPACmethyl N'-acetyl-N,N-dimethylcarbamimidothioate
SMILESCS/C(=N\C(C)=O)N(C)C
InChIInChI=1S/C6H12N2OS/c1-5(9)7-6(10-4)8(2)3/h1-4H3/b7-6-
InChIKeyULLAULIPAHVSPD-SREVYHEPSA-N
MW160.24 g/mol
LogP0.81
Rot. Bonds

About methyl N'-acetyl-N,N-dimethylcarbamimidothioate

methyl N'-acetyl-N,N-dimethylcarbamimidothioate (PubChem CID 23405776) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is methyl N'-acetyl-N,N-dimethylcarbamimidothioate.

Molecular Properties

Compound Namemethyl N'-acetyl-N,N-dimethylcarbamimidothioate
PubChem CID23405776
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Namemethyl N'-acetyl-N,N-dimethylcarbamimidothioate
SMILESCS/C(=N\C(C)=O)N(C)C
InChIInChI=1S/C6H12N2OS/c1-5(9)7-6(10-4)8(2)3/h1-4H3/b7-6-
InChIKeyULLAULIPAHVSPD-SREVYHEPSA-N
XLogP0.81
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl N'-acetyl-N,N-dimethylcarbamimidothioate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N'-acetyl-N,N-dimethylcarbamimidothioate?
The IUPAC name of methyl N'-acetyl-N,N-dimethylcarbamimidothioate (CID 23405776) is methyl N'-acetyl-N,N-dimethylcarbamimidothioate.
What is the SMILES notation for methyl N'-acetyl-N,N-dimethylcarbamimidothioate?
The canonical SMILES for methyl N'-acetyl-N,N-dimethylcarbamimidothioate is CS/C(=N\C(C)=O)N(C)C.
What is the InChIKey of methyl N'-acetyl-N,N-dimethylcarbamimidothioate?
The InChIKey is ULLAULIPAHVSPD-SREVYHEPSA-N. The full InChI is InChI=1S/C6H12N2OS/c1-5(9)7-6(10-4)8(2)3/h1-4H3/b7-6-.
What are the key properties of methyl N'-acetyl-N,N-dimethylcarbamimidothioate?
methyl N'-acetyl-N,N-dimethylcarbamimidothioate has a molecular weight of 160.24 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-acetyl-N,N-dimethylcarbamimidothioate is sourced from PubChem (CID 23405776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).