(3R)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride

C11H14ClF3N2O3S — CID 119962804

IUPAC(3R)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C11H13F3N2O3S.ClH/c12-11(13,14)19-9-3-1-2-4-10(9)20(17,18)16-6-5-8(15)7-16;/h1-4,8H,5-7,15H2;1H/t8-;/m1./s1
InChIKeyLAGZLUUAYHXOSQ-DDWIOCJRSA-N
MW346.76 g/mol
LogP1.73
Rot. Bonds3

About (3R)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride

(3R)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 119962804) has the molecular formula C11H14ClF3N2O3S and a molecular weight of 346.76 g/mol. Its IUPAC name is (3R)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID119962804
Molecular FormulaC11H14ClF3N2O3S
Molecular Weight346.76 g/mol
Exact Mass346.04
IUPAC Name(3R)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C11H13F3N2O3S.ClH/c12-11(13,14)19-9-3-1-2-4-10(9)20(17,18)16-6-5-8(15)7-16;/h1-4,8H,5-7,15H2;1H/t8-;/m1./s1
InChIKeyLAGZLUUAYHXOSQ-DDWIOCJRSA-N
XLogP1.73
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.76
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidine-3-carboxylic acid
CID 125118541
(3R)-N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine
CID 124627734
2-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 120584128
1-(2-iodophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 165111775
3-(4-fluorophenyl)-1-[2-(trifluoromethoxy)phenyl]sulfonylazepane
CID 121146381
N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 31109375
3-[1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 119992802
7-phenyl-4-[2-(trifluoromethoxy)phenyl]sulfonyl-1,4-thiazepane
CID 73169058
2-methoxy-6-[1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90637692
2,6-dimethyl-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 55601255
(3R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine
CID 119962610
[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972182

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride (CID 119962804) is (3R)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride is Cl.N[C@@H]1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1.
What is the InChIKey of (3R)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is LAGZLUUAYHXOSQ-DDWIOCJRSA-N. The full InChI is InChI=1S/C11H13F3N2O3S.ClH/c12-11(13,14)19-9-3-1-2-4-10(9)20(17,18)16-6-5-8(15)7-16;/h1-4,8H,5-7,15H2;1H/t8-;/m1./s1.
What are the key properties of (3R)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride?
(3R)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 346.76 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119962804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).