(3R)-1-(3-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-amine

C11H15FN2O2S — CID 119962853

IUPAC(3R)-1-(3-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-amine
SMILESCc1cc(F)cc(S(=O)(=O)N2CC[C@@H](N)C2)c1
InChIInChI=1S/C11H15FN2O2S/c1-8-4-9(12)6-11(5-8)17(15,16)14-3-2-10(13)7-14/h4-6,10H,2-3,7,13H2,1H3/t10-/m1/s1
InChIKeyQULFWUMGHUFEBQ-SNVBAGLBSA-N
MW258.32 g/mol
LogP0.86
Rot. Bonds2

About (3R)-1-(3-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-amine

(3R)-1-(3-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-amine (PubChem CID 119962853) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is (3R)-1-(3-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(3-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-amine
PubChem CID119962853
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name(3R)-1-(3-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-amine
SMILESCc1cc(F)cc(S(=O)(=O)N2CC[C@@H](N)C2)c1
InChIInChI=1S/C11H15FN2O2S/c1-8-4-9(12)6-11(5-8)17(15,16)14-3-2-10(13)7-14/h4-6,10H,2-3,7,13H2,1H3/t10-/m1/s1
InChIKeyQULFWUMGHUFEBQ-SNVBAGLBSA-N
XLogP0.86
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3,4,5-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962846
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 62067673
1-(3-methylphenyl)sulfonylpyrrolidin-3-amine
CID 62069516
1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine
CID 55029986
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425
(3R)-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962604
1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959600
1-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylpyrrolidin-3-amine
CID 165180656
1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-4-amine
CID 119959097
(3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993531
(3R)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-amine
CID 115301727
(3R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine
CID 119962610

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-(3-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-amine (CID 119962853) is (3R)-1-(3-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(3-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(3-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-amine is Cc1cc(F)cc(S(=O)(=O)N2CC[C@@H](N)C2)c1.
What is the InChIKey of (3R)-1-(3-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-amine?
The InChIKey is QULFWUMGHUFEBQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-8-4-9(12)6-11(5-8)17(15,16)14-3-2-10(13)7-14/h4-6,10H,2-3,7,13H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-1-(3-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-amine?
(3R)-1-(3-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-amine has a molecular weight of 258.32 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 119962853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).