N-(4-acetylphenyl)-2-methylpropane-2-sulfinamide

C12H17NO2S — CID 76528850

IUPACN-(4-acetylphenyl)-2-methylpropane-2-sulfinamide
SMILESCC(=O)c1ccc(NS(=O)C(C)(C)C)cc1
InChIInChI=1S/C12H17NO2S/c1-9(14)10-5-7-11(8-6-10)13-16(15)12(2,3)4/h5-8,13H,1-4H3
InChIKeyLTUUDSULVPEBNL-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.76
Rot. Bonds3

About N-(4-acetylphenyl)-2-methylpropane-2-sulfinamide

N-(4-acetylphenyl)-2-methylpropane-2-sulfinamide (PubChem CID 76528850) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-methylpropane-2-sulfinamide
PubChem CID76528850
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-(4-acetylphenyl)-2-methylpropane-2-sulfinamide
SMILESCC(=O)c1ccc(NS(=O)C(C)(C)C)cc1
InChIInChI=1S/C12H17NO2S/c1-9(14)10-5-7-11(8-6-10)13-16(15)12(2,3)4/h5-8,13H,1-4H3
InChIKeyLTUUDSULVPEBNL-UHFFFAOYSA-N
XLogP2.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-acetylphenyl)-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

Related Compounds

(4-acetylanilino)methanesulfinic acid
CID 175150534
N-(4-acetylphenyl)-4-chlorobenzenesulfinamide
CID 577763
1-[4-(2-methylbut-3-yn-2-ylamino)phenyl]ethanone
CID 114468251
1-[4-(2-methylsulfinylethylamino)phenyl]ethanone
CID 114468465
1-[4-(chloroamino)phenyl]ethanone
CID 140987111
1-[4-(sulfanylamino)phenyl]ethanone
CID 143142211
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone
CID 24826943
N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
N-(4-acetylphenyl)-2-methoxy-2-methylpropanamide
CID 113233232
N-(4-acetylphenyl)-N'-tert-butyloxamide
CID 108506817
1-[4-(propylamino)phenyl]ethanone
CID 7304598

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(4-acetylphenyl)-2-methylpropane-2-sulfinamide (CID 76528850) is N-(4-acetylphenyl)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(4-acetylphenyl)-2-methylpropane-2-sulfinamide is CC(=O)c1ccc(NS(=O)C(C)(C)C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-methylpropane-2-sulfinamide?
The InChIKey is LTUUDSULVPEBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9(14)10-5-7-11(8-6-10)13-16(15)12(2,3)4/h5-8,13H,1-4H3.
What are the key properties of N-(4-acetylphenyl)-2-methylpropane-2-sulfinamide?
N-(4-acetylphenyl)-2-methylpropane-2-sulfinamide has a molecular weight of 239.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 76528850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).