N-(2-amino-2-methylpropyl)ethanethioamide

C6H14N2S — CID 21268883

IUPACN-(2-amino-2-methylpropyl)ethanethioamide
SMILESCC(=S)NCC(C)(C)N
InChIInChI=1S/C6H14N2S/c1-5(9)8-4-6(2,3)7/h4,7H2,1-3H3,(H,8,9)
InChIKeyFQAGWSATUORTQF-UHFFFAOYSA-N
MW146.26 g/mol
LogP0.66
Rot. Bonds2

About N-(2-amino-2-methylpropyl)ethanethioamide

N-(2-amino-2-methylpropyl)ethanethioamide (PubChem CID 21268883) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)ethanethioamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)ethanethioamide
PubChem CID21268883
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC NameN-(2-amino-2-methylpropyl)ethanethioamide
SMILESCC(=S)NCC(C)(C)N
InChIInChI=1S/C6H14N2S/c1-5(9)8-4-6(2,3)7/h4,7H2,1-3H3,(H,8,9)
InChIKeyFQAGWSATUORTQF-UHFFFAOYSA-N
XLogP0.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-amino-2-methylpropyl)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 N-(2-amino-2-methylpropyl)ethanethioamide?
The IUPAC name of N-(2-amino-2-methylpropyl)ethanethioamide (CID 21268883) is N-(2-amino-2-methylpropyl)ethanethioamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)ethanethioamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)ethanethioamide is CC(=S)NCC(C)(C)N.
What is the InChIKey of N-(2-amino-2-methylpropyl)ethanethioamide?
The InChIKey is FQAGWSATUORTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c1-5(9)8-4-6(2,3)7/h4,7H2,1-3H3,(H,8,9).
What are the key properties of N-(2-amino-2-methylpropyl)ethanethioamide?
N-(2-amino-2-methylpropyl)ethanethioamide has a molecular weight of 146.26 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)ethanethioamide is sourced from PubChem (CID 21268883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).