[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methanamine

C12H14F3NO2S — CID 67054689

IUPAC[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methanamine
SMILESNCC1CC(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H14F3NO2S/c13-12(14,15)9-2-1-3-10(6-9)19(17,18)11-4-8(5-11)7-16/h1-3,6,8,11H,4-5,7,16H2
InChIKeyFJJOELHHDOKENY-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.22
Rot. Bonds3

About [3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methanamine

[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methanamine (PubChem CID 67054689) has the molecular formula C12H14F3NO2S and a molecular weight of 293.31 g/mol. Its IUPAC name is [3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methanamine.

Molecular Properties

Compound Name[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methanamine
PubChem CID67054689
Molecular FormulaC12H14F3NO2S
Molecular Weight293.31 g/mol
Exact Mass293.07
IUPAC Name[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methanamine
SMILESNCC1CC(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H14F3NO2S/c13-12(14,15)9-2-1-3-10(6-9)19(17,18)11-4-8(5-11)7-16/h1-3,6,8,11H,4-5,7,16H2
InChIKeyFJJOELHHDOKENY-UHFFFAOYSA-N
XLogP2.22
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxycyclobutyl)sulfonyl-3-(trifluoromethyl)benzene
CID 67054918
N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine
CID 64722840
N-cyclohexyl-4-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]butanamide
CID 158422763
4,4-dimethyl-1-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]amino]pentan-2-one
CID 160564942
ethyl 4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexane-1-carboxylate
CID 123587350
1-(3-fluoro-5-methoxyphenyl)-3-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]propan-1-one
CID 153186496
2-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine
CID 64644682
6-(trifluoromethyl)-N-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 88933082
potassium [3-(trifluoromethyl)phenyl]sulfonylazanide
CID 131721326
CID 70262336
CID 70262336
2-(5-chloro-3-pyridinyl)-1-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]ethanone
CID 162197775
2-[4-(trifluoromethyl)phenyl]-5-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]-1H-imidazole
CID 88933161

Frequently Asked Questions

What is the IUPAC name of [3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methanamine?
The IUPAC name of [3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methanamine (CID 67054689) is [3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methanamine.
What is the SMILES notation for [3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methanamine?
The canonical SMILES for [3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methanamine is NCC1CC(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of [3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methanamine?
The InChIKey is FJJOELHHDOKENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2S/c13-12(14,15)9-2-1-3-10(6-9)19(17,18)11-4-8(5-11)7-16/h1-3,6,8,11H,4-5,7,16H2.
What are the key properties of [3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methanamine?
[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methanamine has a molecular weight of 293.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methanamine is sourced from PubChem (CID 67054689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).