N-[1-(2-fluorophenyl)-3-oxobutyl]-2-methylpropane-2-sulfinamide

C14H20FNO2S — CID 123360906

IUPACN-[1-(2-fluorophenyl)-3-oxobutyl]-2-methylpropane-2-sulfinamide
SMILESCC(=O)CC(NS(=O)C(C)(C)C)c1ccccc1F
InChIInChI=1S/C14H20FNO2S/c1-10(17)9-13(16-19(18)14(2,3)4)11-7-5-6-8-12(11)15/h5-8,13,16H,9H2,1-4H3
InChIKeyGCUHGEQWVNCZAT-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.90
Rot. Bonds5

About N-[1-(2-fluorophenyl)-3-oxobutyl]-2-methylpropane-2-sulfinamide

N-[1-(2-fluorophenyl)-3-oxobutyl]-2-methylpropane-2-sulfinamide (PubChem CID 123360906) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-3-oxobutyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-3-oxobutyl]-2-methylpropane-2-sulfinamide
PubChem CID123360906
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC NameN-[1-(2-fluorophenyl)-3-oxobutyl]-2-methylpropane-2-sulfinamide
SMILESCC(=O)CC(NS(=O)C(C)(C)C)c1ccccc1F
InChIInChI=1S/C14H20FNO2S/c1-10(17)9-13(16-19(18)14(2,3)4)11-7-5-6-8-12(11)15/h5-8,13,16H,9H2,1-4H3
InChIKeyGCUHGEQWVNCZAT-UHFFFAOYSA-N
XLogP2.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(2-fluorophenyl)-3-oxobutyl]-2-methylpropane-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-[1-(2-fluorophenyl)-3-oxobutyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-(2-fluorophenyl)-3-oxobutyl]-2-methylpropane-2-sulfinamide (CID 123360906) is N-[1-(2-fluorophenyl)-3-oxobutyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-3-oxobutyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-3-oxobutyl]-2-methylpropane-2-sulfinamide is CC(=O)CC(NS(=O)C(C)(C)C)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)-3-oxobutyl]-2-methylpropane-2-sulfinamide?
The InChIKey is GCUHGEQWVNCZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-10(17)9-13(16-19(18)14(2,3)4)11-7-5-6-8-12(11)15/h5-8,13,16H,9H2,1-4H3.
What are the key properties of N-[1-(2-fluorophenyl)-3-oxobutyl]-2-methylpropane-2-sulfinamide?
N-[1-(2-fluorophenyl)-3-oxobutyl]-2-methylpropane-2-sulfinamide has a molecular weight of 285.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-3-oxobutyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 123360906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).