1-(2,5-difluoro-3-methylsulfonylphenyl)cyclobutan-1-amine

C11H13F2NO2S — CID 117407145

IUPAC1-(2,5-difluoro-3-methylsulfonylphenyl)cyclobutan-1-amine
SMILESCS(=O)(=O)c1cc(F)cc(C2(N)CCC2)c1F
InChIInChI=1S/C11H13F2NO2S/c1-17(15,16)9-6-7(12)5-8(10(9)13)11(14)3-2-4-11/h5-6H,2-4,14H2,1H3
InChIKeyOGDLAIWRAYUFLE-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.71
Rot. Bonds2

About 1-(2,5-difluoro-3-methylsulfonylphenyl)cyclobutan-1-amine

1-(2,5-difluoro-3-methylsulfonylphenyl)cyclobutan-1-amine (PubChem CID 117407145) has the molecular formula C11H13F2NO2S and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-(2,5-difluoro-3-methylsulfonylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(2,5-difluoro-3-methylsulfonylphenyl)cyclobutan-1-amine
PubChem CID117407145
Molecular FormulaC11H13F2NO2S
Molecular Weight261.29 g/mol
Exact Mass261.06
IUPAC Name1-(2,5-difluoro-3-methylsulfonylphenyl)cyclobutan-1-amine
SMILESCS(=O)(=O)c1cc(F)cc(C2(N)CCC2)c1F
InChIInChI=1S/C11H13F2NO2S/c1-17(15,16)9-6-7(12)5-8(10(9)13)11(14)3-2-4-11/h5-6H,2-4,14H2,1H3
InChIKeyOGDLAIWRAYUFLE-UHFFFAOYSA-N
XLogP1.71
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-difluoro-3-methylsulfonylphenyl)cyclobutan-1-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

1-(2,5-difluoro-3-methylsulfonylphenyl)cyclopentan-1-amine
CID 117440287
2,5-difluoro-1-(1-isocyanatocyclopropyl)-3-methylsulfonylbenzene
CID 117435316
6-(1-aminocyclobutyl)-2,4-difluoro-3-methylsulfonylphenol
CID 117444056
1-(5-methoxy-4-methyl-2-methylsulfonylphenyl)cyclobutan-1-amine
CID 117426783
1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclobutan-1-amine
CID 117370183
1-(2,3-dimethoxy-4-methylsulfonylphenyl)cyclobutan-1-amine
CID 117459726
1-(4-methylsulfanyl-3-methylsulfonylphenyl)cyclohexan-1-amine
CID 117482499
1-(2,5-dimethoxy-3-methylsulfonylphenyl)cyclopentan-1-amine
CID 117482413
2-(1-aminocyclobutyl)-6-chloro-4-fluorophenol
CID 117307321
6-(1-aminocyclopropyl)-2,4-difluoro-3-methylsulfonylphenol
CID 117412067
1-(3-fluoro-4-methylsulfonylphenyl)cyclopropan-1-amine
CID 84792733
1-(3,5-difluoro-2,4-dimethylphenyl)cyclopentan-1-amine
CID 84790278

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-3-methylsulfonylphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(2,5-difluoro-3-methylsulfonylphenyl)cyclobutan-1-amine (CID 117407145) is 1-(2,5-difluoro-3-methylsulfonylphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(2,5-difluoro-3-methylsulfonylphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(2,5-difluoro-3-methylsulfonylphenyl)cyclobutan-1-amine is CS(=O)(=O)c1cc(F)cc(C2(N)CCC2)c1F.
What is the InChIKey of 1-(2,5-difluoro-3-methylsulfonylphenyl)cyclobutan-1-amine?
The InChIKey is OGDLAIWRAYUFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2S/c1-17(15,16)9-6-7(12)5-8(10(9)13)11(14)3-2-4-11/h5-6H,2-4,14H2,1H3.
What are the key properties of 1-(2,5-difluoro-3-methylsulfonylphenyl)cyclobutan-1-amine?
1-(2,5-difluoro-3-methylsulfonylphenyl)cyclobutan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-3-methylsulfonylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117407145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).