N-ethyl-1,1,1-trifluoromethanesulfinamide

C3H6F3NOS — CID 129214280

IUPACN-ethyl-1,1,1-trifluoromethanesulfinamide
SMILESCCNS(=O)C(F)(F)F
InChIInChI=1S/C3H6F3NOS/c1-2-7-9(8)3(4,5)6/h7H,2H2,1H3
InChIKeyDBFFJSVERKIXSR-UHFFFAOYSA-N
MW161.15 g/mol
LogP0.78
Rot. Bonds2

About N-ethyl-1,1,1-trifluoromethanesulfinamide

N-ethyl-1,1,1-trifluoromethanesulfinamide (PubChem CID 129214280) has the molecular formula C3H6F3NOS and a molecular weight of 161.15 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoromethanesulfinamide.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoromethanesulfinamide
PubChem CID129214280
Molecular FormulaC3H6F3NOS
Molecular Weight161.15 g/mol
Exact Mass161.01
IUPAC NameN-ethyl-1,1,1-trifluoromethanesulfinamide
SMILESCCNS(=O)C(F)(F)F
InChIInChI=1S/C3H6F3NOS/c1-2-7-9(8)3(4,5)6/h7H,2H2,1H3
InChIKeyDBFFJSVERKIXSR-UHFFFAOYSA-N
XLogP0.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.15
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-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-ethyl-1,1,1-trifluoromethanesulfinamide?
The IUPAC name of N-ethyl-1,1,1-trifluoromethanesulfinamide (CID 129214280) is N-ethyl-1,1,1-trifluoromethanesulfinamide.
What is the SMILES notation for N-ethyl-1,1,1-trifluoromethanesulfinamide?
The canonical SMILES for N-ethyl-1,1,1-trifluoromethanesulfinamide is CCNS(=O)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoromethanesulfinamide?
The InChIKey is DBFFJSVERKIXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3NOS/c1-2-7-9(8)3(4,5)6/h7H,2H2,1H3.
What are the key properties of N-ethyl-1,1,1-trifluoromethanesulfinamide?
N-ethyl-1,1,1-trifluoromethanesulfinamide has a molecular weight of 161.15 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoromethanesulfinamide is sourced from PubChem (CID 129214280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).