N-[2,2,2-trifluoro-1-(2-methylcyclopropyl)ethyl]propane-2-sulfinamide

C9H16F3NOS — CID 123798858

IUPACN-[2,2,2-trifluoro-1-(2-methylcyclopropyl)ethyl]propane-2-sulfinamide
SMILESCC1CC1C(NS(=O)C(C)C)C(F)(F)F
InChIInChI=1S/C9H16F3NOS/c1-5(2)15(14)13-8(9(10,11)12)7-4-6(7)3/h5-8,13H,4H2,1-3H3
InChIKeyIJTRMOIGSQUGES-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.23
Rot. Bonds4

About N-[2,2,2-trifluoro-1-(2-methylcyclopropyl)ethyl]propane-2-sulfinamide

N-[2,2,2-trifluoro-1-(2-methylcyclopropyl)ethyl]propane-2-sulfinamide (PubChem CID 123798858) has the molecular formula C9H16F3NOS and a molecular weight of 243.29 g/mol. Its IUPAC name is N-[2,2,2-trifluoro-1-(2-methylcyclopropyl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound NameN-[2,2,2-trifluoro-1-(2-methylcyclopropyl)ethyl]propane-2-sulfinamide
PubChem CID123798858
Molecular FormulaC9H16F3NOS
Molecular Weight243.29 g/mol
Exact Mass243.09
IUPAC NameN-[2,2,2-trifluoro-1-(2-methylcyclopropyl)ethyl]propane-2-sulfinamide
SMILESCC1CC1C(NS(=O)C(C)C)C(F)(F)F
InChIInChI=1S/C9H16F3NOS/c1-5(2)15(14)13-8(9(10,11)12)7-4-6(7)3/h5-8,13H,4H2,1-3H3
InChIKeyIJTRMOIGSQUGES-UHFFFAOYSA-N
XLogP2.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2,2,2-trifluoro-1-(2-methylcyclopropyl)ethyl]propane-2-sulfinamide 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-[2,2,2-trifluoro-1-(2-methylcyclopropyl)ethyl]propane-2-sulfinamide?
The IUPAC name of N-[2,2,2-trifluoro-1-(2-methylcyclopropyl)ethyl]propane-2-sulfinamide (CID 123798858) is N-[2,2,2-trifluoro-1-(2-methylcyclopropyl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for N-[2,2,2-trifluoro-1-(2-methylcyclopropyl)ethyl]propane-2-sulfinamide?
The canonical SMILES for N-[2,2,2-trifluoro-1-(2-methylcyclopropyl)ethyl]propane-2-sulfinamide is CC1CC1C(NS(=O)C(C)C)C(F)(F)F.
What is the InChIKey of N-[2,2,2-trifluoro-1-(2-methylcyclopropyl)ethyl]propane-2-sulfinamide?
The InChIKey is IJTRMOIGSQUGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NOS/c1-5(2)15(14)13-8(9(10,11)12)7-4-6(7)3/h5-8,13H,4H2,1-3H3.
What are the key properties of N-[2,2,2-trifluoro-1-(2-methylcyclopropyl)ethyl]propane-2-sulfinamide?
N-[2,2,2-trifluoro-1-(2-methylcyclopropyl)ethyl]propane-2-sulfinamide has a molecular weight of 243.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2,2-trifluoro-1-(2-methylcyclopropyl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 123798858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).