2-[3-(1-cyclopropylsulfonylazetidin-3-yl)-3-(3-fluorophenyl)propyl]pyrrolidine

C19H27FN2O2S — CID 68869634

IUPAC2-[3-(1-cyclopropylsulfonylazetidin-3-yl)-3-(3-fluorophenyl)propyl]pyrrolidine
SMILESO=S(=O)(C1CC1)N1CC(C(CCC2CCCN2)c2cccc(F)c2)C1
InChIInChI=1S/C19H27FN2O2S/c20-16-4-1-3-14(11-16)19(9-6-17-5-2-10-21-17)15-12-22(13-15)25(23,24)18-7-8-18/h1,3-4,11,15,17-19,21H,2,5-10,12-13H2
InChIKeyLQLMOGADCRIIRG-UHFFFAOYSA-N
MW366.50 g/mol
LogP2.87
Rot. Bonds7

About 2-[3-(1-cyclopropylsulfonylazetidin-3-yl)-3-(3-fluorophenyl)propyl]pyrrolidine

2-[3-(1-cyclopropylsulfonylazetidin-3-yl)-3-(3-fluorophenyl)propyl]pyrrolidine (PubChem CID 68869634) has the molecular formula C19H27FN2O2S and a molecular weight of 366.50 g/mol. Its IUPAC name is 2-[3-(1-cyclopropylsulfonylazetidin-3-yl)-3-(3-fluorophenyl)propyl]pyrrolidine.

Molecular Properties

Compound Name2-[3-(1-cyclopropylsulfonylazetidin-3-yl)-3-(3-fluorophenyl)propyl]pyrrolidine
PubChem CID68869634
Molecular FormulaC19H27FN2O2S
Molecular Weight366.50 g/mol
Exact Mass366.18
IUPAC Name2-[3-(1-cyclopropylsulfonylazetidin-3-yl)-3-(3-fluorophenyl)propyl]pyrrolidine
SMILESO=S(=O)(C1CC1)N1CC(C(CCC2CCCN2)c2cccc(F)c2)C1
InChIInChI=1S/C19H27FN2O2S/c20-16-4-1-3-14(11-16)19(9-6-17-5-2-10-21-17)15-12-22(13-15)25(23,24)18-7-8-18/h1,3-4,11,15,17-19,21H,2,5-10,12-13H2
InChIKeyLQLMOGADCRIIRG-UHFFFAOYSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

US10233152, Example 128
CID 129279609
N-((4-fluoro-1-(piperidin-4-yl-methyl)sulfonyl)piperidin-4-yl) methyl)-trans-2-phenylcyclo-propylamine
CID 130453449
N-((4-fluoro-1-(methylsulfonyl) piperidin-4-yl)methyl)-trans-2-phenylcyclopropylamine
CID 130453455
US10233152, Example 122
CID 129279666
US10233152, Example 116
CID 129279756
2-[6-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]ethanesulfonamide
CID 139465143
(3R*,4S*)-1-(benzylsulfonyl)-4-cyclopropylpyrrolidin-3-amine
CID 72853116
1-[(2-Fluorophenyl)methylsulfonyl]-4-pyrrolidin-3-ylpiperidine
CID 91910161
1-[(4-Fluorophenyl)methanesulfonyl]-4-(pyrrolidin-3-YL)piperidine
CID 91910163
1-[(3-fluorobenzyl)sulfonyl]-4-tetrahydro-1H-pyrrol-3-ylpiperidine
CID 91910164
(3R,4S)-1-[(4-fluorophenyl)methylsulfonyl]-4-propylpyrrolidin-3-amine
CID 72912547
trans-(1S,2R)-N-(azepan-3-yl)-2-phenylcyclopropane-1-sulfonamide
CID 164631368

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-cyclopropylsulfonylazetidin-3-yl)-3-(3-fluorophenyl)propyl]pyrrolidine?
The IUPAC name of 2-[3-(1-cyclopropylsulfonylazetidin-3-yl)-3-(3-fluorophenyl)propyl]pyrrolidine (CID 68869634) is 2-[3-(1-cyclopropylsulfonylazetidin-3-yl)-3-(3-fluorophenyl)propyl]pyrrolidine.
What is the SMILES notation for 2-[3-(1-cyclopropylsulfonylazetidin-3-yl)-3-(3-fluorophenyl)propyl]pyrrolidine?
The canonical SMILES for 2-[3-(1-cyclopropylsulfonylazetidin-3-yl)-3-(3-fluorophenyl)propyl]pyrrolidine is O=S(=O)(C1CC1)N1CC(C(CCC2CCCN2)c2cccc(F)c2)C1.
What is the InChIKey of 2-[3-(1-cyclopropylsulfonylazetidin-3-yl)-3-(3-fluorophenyl)propyl]pyrrolidine?
The InChIKey is LQLMOGADCRIIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2S/c20-16-4-1-3-14(11-16)19(9-6-17-5-2-10-21-17)15-12-22(13-15)25(23,24)18-7-8-18/h1,3-4,11,15,17-19,21H,2,5-10,12-13H2.
What are the key properties of 2-[3-(1-cyclopropylsulfonylazetidin-3-yl)-3-(3-fluorophenyl)propyl]pyrrolidine?
2-[3-(1-cyclopropylsulfonylazetidin-3-yl)-3-(3-fluorophenyl)propyl]pyrrolidine has a molecular weight of 366.50 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-cyclopropylsulfonylazetidin-3-yl)-3-(3-fluorophenyl)propyl]pyrrolidine is sourced from PubChem (CID 68869634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).