[1-(3-fluoro-5-methylsulfonylphenyl)cyclobutyl]methanamine

C12H16FNO2S — CID 117396628

IUPAC[1-(3-fluoro-5-methylsulfonylphenyl)cyclobutyl]methanamine
SMILESCS(=O)(=O)c1cc(F)cc(C2(CN)CCC2)c1
InChIInChI=1S/C12H16FNO2S/c1-17(15,16)11-6-9(5-10(13)7-11)12(8-14)3-2-4-12/h5-7H,2-4,8,14H2,1H3
InChIKeyOVXIOOJJFGWAKM-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.61
Rot. Bonds3

About [1-(3-fluoro-5-methylsulfonylphenyl)cyclobutyl]methanamine

[1-(3-fluoro-5-methylsulfonylphenyl)cyclobutyl]methanamine (PubChem CID 117396628) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is [1-(3-fluoro-5-methylsulfonylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-fluoro-5-methylsulfonylphenyl)cyclobutyl]methanamine
PubChem CID117396628
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name[1-(3-fluoro-5-methylsulfonylphenyl)cyclobutyl]methanamine
SMILESCS(=O)(=O)c1cc(F)cc(C2(CN)CCC2)c1
InChIInChI=1S/C12H16FNO2S/c1-17(15,16)11-6-9(5-10(13)7-11)12(8-14)3-2-4-12/h5-7H,2-4,8,14H2,1H3
InChIKeyOVXIOOJJFGWAKM-UHFFFAOYSA-N
XLogP1.61
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(3-fluoro-5-methylsulfonylphenyl)cyclobutyl]methanamine 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 [1-(3-fluoro-5-methylsulfonylphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(3-fluoro-5-methylsulfonylphenyl)cyclobutyl]methanamine (CID 117396628) is [1-(3-fluoro-5-methylsulfonylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(3-fluoro-5-methylsulfonylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(3-fluoro-5-methylsulfonylphenyl)cyclobutyl]methanamine is CS(=O)(=O)c1cc(F)cc(C2(CN)CCC2)c1.
What is the InChIKey of [1-(3-fluoro-5-methylsulfonylphenyl)cyclobutyl]methanamine?
The InChIKey is OVXIOOJJFGWAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-17(15,16)11-6-9(5-10(13)7-11)12(8-14)3-2-4-12/h5-7H,2-4,8,14H2,1H3.
What are the key properties of [1-(3-fluoro-5-methylsulfonylphenyl)cyclobutyl]methanamine?
[1-(3-fluoro-5-methylsulfonylphenyl)cyclobutyl]methanamine has a molecular weight of 257.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoro-5-methylsulfonylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117396628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).