1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine

C12H17F2NO2S — CID 116790963

IUPAC1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine
SMILESCC(C)(N)CS(=O)(=O)CC(F)(F)c1ccccc1
InChIInChI=1S/C12H17F2NO2S/c1-11(2,15)8-18(16,17)9-12(13,14)10-6-4-3-5-7-10/h3-7H,8-9,15H2,1-2H3
InChIKeyRGCUVKBRWSOQAB-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.93
Rot. Bonds5

About 1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine

1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine (PubChem CID 116790963) has the molecular formula C12H17F2NO2S and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine
PubChem CID116790963
Molecular FormulaC12H17F2NO2S
Molecular Weight277.34 g/mol
Exact Mass277.09
IUPAC Name1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine
SMILESCC(C)(N)CS(=O)(=O)CC(F)(F)c1ccccc1
InChIInChI=1S/C12H17F2NO2S/c1-11(2,15)8-18(16,17)9-12(13,14)10-6-4-3-5-7-10/h3-7H,8-9,15H2,1-2H3
InChIKeyRGCUVKBRWSOQAB-UHFFFAOYSA-N
XLogP1.93
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine 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

2-methyl-1-(2-phenoxyethylsulfonyl)propan-2-amine
CID 81188680
N-(1-amino-1-phenylethyl)methanesulfonamide
CID 174630442
2-methyl-1-[[4-(trifluoromethoxy)phenyl]methylsulfonyl]propan-2-amine
CID 81189605
methyl 2-amino-4,4-difluoro-4-phenylbutanoate
CID 66940111
(2S)-1,1,1-trifluoro-2-phenylpropan-2-amine;hydrochloride
CID 67693696
N-(2-amino-2-methylpropyl)benzenesulfonamide;hydrochloride
CID 90081725
(2S)-2-[(2S)-2-amino-1-phenylpropan-2-yl]sulfonyl-1-phenylpropan-2-amine
CID 70047843
1,1-difluoroethylbenzene
CID 10942535
1,1-diphenylethanamine
CID 12761172
2-phenylbutan-2-yl 2-methylbutanoate
CID 59331016
1-(2-ethylsulfonylethylsulfonyl)-2-methylpropan-2-amine
CID 81189829
2-methyl-1-phenylpropan-2-amine;sulfuric acid
CID 174984746

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine?
The IUPAC name of 1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine (CID 116790963) is 1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine?
The canonical SMILES for 1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine is CC(C)(N)CS(=O)(=O)CC(F)(F)c1ccccc1.
What is the InChIKey of 1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine?
The InChIKey is RGCUVKBRWSOQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2S/c1-11(2,15)8-18(16,17)9-12(13,14)10-6-4-3-5-7-10/h3-7H,8-9,15H2,1-2H3.
What are the key properties of 1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine?
1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine has a molecular weight of 277.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine is sourced from PubChem (CID 116790963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).