4-[(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]morpholine

C14H18F3N3O3S — CID 129398340

IUPAC4-[(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]morpholine
SMILESO=S(=O)(c1ccc(C(F)(F)F)nc1)N1CC[C@@H](N2CCOCC2)C1
InChIInChI=1S/C14H18F3N3O3S/c15-14(16,17)13-2-1-12(9-18-13)24(21,22)20-4-3-11(10-20)19-5-7-23-8-6-19/h1-2,9,11H,3-8,10H2/t11-/m1/s1
InChIKeyHXBVBZIAAFHMOW-LLVKDONJSA-N
MW365.38 g/mol
LogP1.20
Rot. Bonds3

About 4-[(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]morpholine

4-[(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]morpholine (PubChem CID 129398340) has the molecular formula C14H18F3N3O3S and a molecular weight of 365.38 g/mol. Its IUPAC name is 4-[(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]morpholine
PubChem CID129398340
Molecular FormulaC14H18F3N3O3S
Molecular Weight365.38 g/mol
Exact Mass365.10
IUPAC Name4-[(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]morpholine
SMILESO=S(=O)(c1ccc(C(F)(F)F)nc1)N1CC[C@@H](N2CCOCC2)C1
InChIInChI=1S/C14H18F3N3O3S/c15-14(16,17)13-2-1-12(9-18-13)24(21,22)20-4-3-11(10-20)19-5-7-23-8-6-19/h1-2,9,11H,3-8,10H2/t11-/m1/s1
InChIKeyHXBVBZIAAFHMOW-LLVKDONJSA-N
XLogP1.20
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 63174663
1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidine-3-carboxylic acid
CID 122068541
(3aR,7aS)-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,3,3a,4,7,7a-hexahydroisoindole
CID 97349788
N-methyl-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanamine
CID 120709622
3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylphenol
CID 81265123
4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]morpholine
CID 118314272
4-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 68554209
N-methyl-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]methanamine;hydrochloride
CID 120709736
4-[[6-[3-(azepan-1-yl)piperidin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 133454493
1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine
CID 63169006
(8aR)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 141356406
[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylsulfonyl)-2-pyridinyl]methanamine
CID 114613483

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]morpholine (CID 129398340) is 4-[(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]morpholine is O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CC[C@@H](N2CCOCC2)C1.
What is the InChIKey of 4-[(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]morpholine?
The InChIKey is HXBVBZIAAFHMOW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18F3N3O3S/c15-14(16,17)13-2-1-12(9-18-13)24(21,22)20-4-3-11(10-20)19-5-7-23-8-6-19/h1-2,9,11H,3-8,10H2/t11-/m1/s1.
What are the key properties of 4-[(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]morpholine?
4-[(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]morpholine has a molecular weight of 365.38 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 129398340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).