N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfinamide

C5H11F3N2OS — CID 122696145

IUPACN-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfinamide
SMILESCCNCCNS(=O)C(F)(F)F
InChIInChI=1S/C5H11F3N2OS/c1-2-9-3-4-10-12(11)5(6,7)8/h9-10H,2-4H2,1H3
InChIKeyMUNULAGEGBHGGG-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.37
Rot. Bonds5

About N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfinamide

N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfinamide (PubChem CID 122696145) has the molecular formula C5H11F3N2OS and a molecular weight of 204.22 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfinamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfinamide
PubChem CID122696145
Molecular FormulaC5H11F3N2OS
Molecular Weight204.22 g/mol
Exact Mass204.05
IUPAC NameN-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfinamide
SMILESCCNCCNS(=O)C(F)(F)F
InChIInChI=1S/C5H11F3N2OS/c1-2-9-3-4-10-12(11)5(6,7)8/h9-10H,2-4H2,1H3
InChIKeyMUNULAGEGBHGGG-UHFFFAOYSA-N
XLogP0.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfinamide 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-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfinamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfinamide (CID 122696145) is N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfinamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfinamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfinamide is CCNCCNS(=O)C(F)(F)F.
What is the InChIKey of N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfinamide?
The InChIKey is MUNULAGEGBHGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2OS/c1-2-9-3-4-10-12(11)5(6,7)8/h9-10H,2-4H2,1H3.
What are the key properties of N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfinamide?
N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfinamide has a molecular weight of 204.22 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfinamide is sourced from PubChem (CID 122696145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).