(3R)-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride

C10H12ClF3N2O2S — CID 119962604

IUPAC(3R)-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCN(S(=O)(=O)c2c(F)cc(F)cc2F)C1
InChIInChI=1S/C10H11F3N2O2S.ClH/c11-6-3-8(12)10(9(13)4-6)18(16,17)15-2-1-7(14)5-15;/h3-4,7H,1-2,5,14H2;1H/t7-;/m1./s1
InChIKeyXYCSXJZXKFDJTD-OGFXRTJISA-N
MW316.73 g/mol
LogP1.25
Rot. Bonds2

About (3R)-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride

(3R)-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 119962604) has the molecular formula C10H12ClF3N2O2S and a molecular weight of 316.73 g/mol. Its IUPAC name is (3R)-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID119962604
Molecular FormulaC10H12ClF3N2O2S
Molecular Weight316.73 g/mol
Exact Mass316.03
IUPAC Name(3R)-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCN(S(=O)(=O)c2c(F)cc(F)cc2F)C1
InChIInChI=1S/C10H11F3N2O2S.ClH/c11-6-3-8(12)10(9(13)4-6)18(16,17)15-2-1-7(14)5-15;/h3-4,7H,1-2,5,14H2;1H/t7-;/m1./s1
InChIKeyXYCSXJZXKFDJTD-OGFXRTJISA-N
XLogP1.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.73
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine
CID 55029986
(3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993401
1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidin-3-amine
CID 43605515
3-bromo-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidine
CID 80668908
(3R)-1-(3,4,5-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962846
(3R)-1-(3-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-amine
CID 119962853
1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971606
[1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 62063051
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 62067673
(3R)-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-3-amine
CID 115301799
(3S)-1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine
CID 94340426
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120712583

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride (CID 119962604) is (3R)-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride is Cl.N[C@@H]1CCN(S(=O)(=O)c2c(F)cc(F)cc2F)C1.
What is the InChIKey of (3R)-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is XYCSXJZXKFDJTD-OGFXRTJISA-N. The full InChI is InChI=1S/C10H11F3N2O2S.ClH/c11-6-3-8(12)10(9(13)4-6)18(16,17)15-2-1-7(14)5-15;/h3-4,7H,1-2,5,14H2;1H/t7-;/m1./s1.
What are the key properties of (3R)-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
(3R)-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 316.73 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119962604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).