1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-4-methylpyrrolidin-3-amine

C13H19FN2O2S — CID 107328373

IUPAC1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-4-methylpyrrolidin-3-amine
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N1CC(C)C(N)C1
InChIInChI=1S/C13H19FN2O2S/c1-8-4-11(14)5-9(2)13(8)19(17,18)16-6-10(3)12(15)7-16/h4-5,10,12H,6-7,15H2,1-3H3
InChIKeyOIKHALQRRVOFDI-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.41
Rot. Bonds2

About 1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-4-methylpyrrolidin-3-amine

1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-4-methylpyrrolidin-3-amine (PubChem CID 107328373) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-4-methylpyrrolidin-3-amine
PubChem CID107328373
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-4-methylpyrrolidin-3-amine
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N1CC(C)C(N)C1
InChIInChI=1S/C13H19FN2O2S/c1-8-4-11(14)5-9(2)13(8)19(17,18)16-6-10(3)12(15)7-16/h4-5,10,12H,6-7,15H2,1-3H3
InChIKeyOIKHALQRRVOFDI-UHFFFAOYSA-N
XLogP1.41
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-4-methylpyrrolidin-3-amine (CID 107328373) is 1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-4-methylpyrrolidin-3-amine is Cc1cc(F)cc(C)c1S(=O)(=O)N1CC(C)C(N)C1.
What is the InChIKey of 1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-4-methylpyrrolidin-3-amine?
The InChIKey is OIKHALQRRVOFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-8-4-11(14)5-9(2)13(8)19(17,18)16-6-10(3)12(15)7-16/h4-5,10,12H,6-7,15H2,1-3H3.
What are the key properties of 1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-4-methylpyrrolidin-3-amine?
1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-4-methylpyrrolidin-3-amine has a molecular weight of 286.37 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 107328373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).