[1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine

C12H15F3N2O2S — CID 63766584

IUPAC[1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O2S/c13-12(14,15)10-5-1-2-6-11(10)20(18,19)17-7-3-4-9(17)8-16/h1-2,5-6,9H,3-4,7-8,16H2
InChIKeyMYGZQTYIPSKDRN-UHFFFAOYSA-N
MW308.32 g/mol
LogP1.82
Rot. Bonds3

About [1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine

[1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine (PubChem CID 63766584) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.32 g/mol. Its IUPAC name is [1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine
PubChem CID63766584
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.32 g/mol
Exact Mass308.08
IUPAC Name[1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O2S/c13-12(14,15)10-5-1-2-6-11(10)20(18,19)17-7-3-4-9(17)8-16/h1-2,5-6,9H,3-4,7-8,16H2
InChIKeyMYGZQTYIPSKDRN-UHFFFAOYSA-N
XLogP1.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 60519923
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]methyl acetate
CID 68644141
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine
CID 43123375
1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 3854693
(2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 2384447
(2S)-2-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 97000881
[1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 119988617
(2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate
CID 2384446
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 43605303
[(2S)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine
CID 124591893
1-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]butan-1-one
CID 68644078
(2S)-N-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 8019206

Frequently Asked Questions

What is the IUPAC name of [1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine (CID 63766584) is [1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine is NCC1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of [1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine?
The InChIKey is MYGZQTYIPSKDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c13-12(14,15)10-5-1-2-6-11(10)20(18,19)17-7-3-4-9(17)8-16/h1-2,5-6,9H,3-4,7-8,16H2.
What are the key properties of [1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine?
[1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine has a molecular weight of 308.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 63766584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).