2-[methyl(2-methylpropyl)amino]ethanethioamide

C7H16N2S — CID 43272131

IUPAC2-[methyl(2-methylpropyl)amino]ethanethioamide
SMILESCC(C)CN(C)CC(N)=S
InChIInChI=1S/C7H16N2S/c1-6(2)4-9(3)5-7(8)10/h6H,4-5H2,1-3H3,(H2,8,10)
InChIKeyIJWXFOYHMJUILA-UHFFFAOYSA-N
MW160.29 g/mol
LogP0.86
Rot. Bonds4

About 2-[methyl(2-methylpropyl)amino]ethanethioamide

2-[methyl(2-methylpropyl)amino]ethanethioamide (PubChem CID 43272131) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is 2-[methyl(2-methylpropyl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[methyl(2-methylpropyl)amino]ethanethioamide
PubChem CID43272131
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Name2-[methyl(2-methylpropyl)amino]ethanethioamide
SMILESCC(C)CN(C)CC(N)=S
InChIInChI=1S/C7H16N2S/c1-6(2)4-9(3)5-7(8)10/h6H,4-5H2,1-3H3,(H2,8,10)
InChIKeyIJWXFOYHMJUILA-UHFFFAOYSA-N
XLogP0.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[methyl(2-methylpropyl)amino]ethanethioamide 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 2-[methyl(2-methylpropyl)amino]ethanethioamide?
The IUPAC name of 2-[methyl(2-methylpropyl)amino]ethanethioamide (CID 43272131) is 2-[methyl(2-methylpropyl)amino]ethanethioamide.
What is the SMILES notation for 2-[methyl(2-methylpropyl)amino]ethanethioamide?
The canonical SMILES for 2-[methyl(2-methylpropyl)amino]ethanethioamide is CC(C)CN(C)CC(N)=S.
What is the InChIKey of 2-[methyl(2-methylpropyl)amino]ethanethioamide?
The InChIKey is IJWXFOYHMJUILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-6(2)4-9(3)5-7(8)10/h6H,4-5H2,1-3H3,(H2,8,10).
What are the key properties of 2-[methyl(2-methylpropyl)amino]ethanethioamide?
2-[methyl(2-methylpropyl)amino]ethanethioamide has a molecular weight of 160.29 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylpropyl)amino]ethanethioamide is sourced from PubChem (CID 43272131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).