2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C7H12F3N3OS — CID 60729988

IUPAC2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)CC(N)=S
InChIInChI=1S/C7H12F3N3OS/c1-13(2-5(11)15)3-6(14)12-4-7(8,9)10/h2-4H2,1H3,(H2,11,15)(H,12,14)
InChIKeyFRXRKFJLSVBDGU-UHFFFAOYSA-N
MW243.25 g/mol
LogP-0.12
Rot. Bonds5

About 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60729988) has the molecular formula C7H12F3N3OS and a molecular weight of 243.25 g/mol. Its IUPAC name is 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60729988
Molecular FormulaC7H12F3N3OS
Molecular Weight243.25 g/mol
Exact Mass243.07
IUPAC Name2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)CC(N)=S
InChIInChI=1S/C7H12F3N3OS/c1-13(2-5(11)15)3-6(14)12-4-7(8,9)10/h2-4H2,1H3,(H2,11,15)(H,12,14)
InChIKeyFRXRKFJLSVBDGU-UHFFFAOYSA-N
XLogP-0.12
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide 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-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 60729988) is 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(=O)NCC(F)(F)F)CC(N)=S.
What is the InChIKey of 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FRXRKFJLSVBDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3OS/c1-13(2-5(11)15)3-6(14)12-4-7(8,9)10/h2-4H2,1H3,(H2,11,15)(H,12,14).
What are the key properties of 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 243.25 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60729988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).