1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-2-[(sulfinamoylamino)methyl]azetidine

C20H21F2N3O2S — CID 170293937

IUPAC1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-2-[(sulfinamoylamino)methyl]azetidine
SMILESNS(=O)NCC1CCN1C(=O)C1CC1c1ccccc1-c1c(F)cccc1F
InChIInChI=1S/C20H21F2N3O2S/c21-17-6-3-7-18(22)19(17)14-5-2-1-4-13(14)15-10-16(15)20(26)25-9-8-12(25)11-24-28(23)27/h1-7,12,15-16,24H,8-11,23H2
InChIKeyHYOMXMFPVIRIMH-UHFFFAOYSA-N
MW405.47 g/mol
LogP2.46
Rot. Bonds6

About 1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-2-[(sulfinamoylamino)methyl]azetidine

1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-2-[(sulfinamoylamino)methyl]azetidine (PubChem CID 170293937) has the molecular formula C20H21F2N3O2S and a molecular weight of 405.47 g/mol. Its IUPAC name is 1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-2-[(sulfinamoylamino)methyl]azetidine.

Molecular Properties

Compound Name1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-2-[(sulfinamoylamino)methyl]azetidine
PubChem CID170293937
Molecular FormulaC20H21F2N3O2S
Molecular Weight405.47 g/mol
Exact Mass405.13
IUPAC Name1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-2-[(sulfinamoylamino)methyl]azetidine
SMILESNS(=O)NCC1CCN1C(=O)C1CC1c1ccccc1-c1c(F)cccc1F
InChIInChI=1S/C20H21F2N3O2S/c21-17-6-3-7-18(22)19(17)14-5-2-1-4-13(14)15-10-16(15)20(26)25-9-8-12(25)11-24-28(23)27/h1-7,12,15-16,24H,8-11,23H2
InChIKeyHYOMXMFPVIRIMH-UHFFFAOYSA-N
XLogP2.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]azetidin-2-yl]methyl]cyclopropanesulfonamide
CID 176848720
N-[1-[1-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]azetidin-2-yl]ethyl]ethanesulfonamide
CID 174141718
(4-amino-2-methylazepan-1-yl)-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]methanone
CID 169240002
[2-[(2R)-1-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]azetidin-2-yl]ethynylamino]-methyl-oxidosulfanium
CID 174141721
N-[(3S)-1-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]pyrrolidin-3-yl]-1-fluoromethanesulfonamide
CID 176848761
1-bromo-N-[(3S)-1-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 176849010
N-[(3R)-1-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-3-methylpyrrolidin-3-yl]methanesulfonamide
CID 176849050
[2-[(azetidin-1-ylsulfanylamino)methyl]morpholin-4-yl]-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]methanone
CID 169240216
N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide
CID 176849170
N-[(3R,4S)-1-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-3-methylazepan-4-yl]methanesulfonamide
CID 176848728
N-[(1R,5S)-3-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanesulfonamide
CID 176848998
[2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]-[3-(ethylsulfanyliminomethyl)piperidin-1-yl]methanone
CID 174141636

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-2-[(sulfinamoylamino)methyl]azetidine?
The IUPAC name of 1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-2-[(sulfinamoylamino)methyl]azetidine (CID 170293937) is 1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-2-[(sulfinamoylamino)methyl]azetidine.
What is the SMILES notation for 1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-2-[(sulfinamoylamino)methyl]azetidine?
The canonical SMILES for 1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-2-[(sulfinamoylamino)methyl]azetidine is NS(=O)NCC1CCN1C(=O)C1CC1c1ccccc1-c1c(F)cccc1F.
What is the InChIKey of 1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-2-[(sulfinamoylamino)methyl]azetidine?
The InChIKey is HYOMXMFPVIRIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2S/c21-17-6-3-7-18(22)19(17)14-5-2-1-4-13(14)15-10-16(15)20(26)25-9-8-12(25)11-24-28(23)27/h1-7,12,15-16,24H,8-11,23H2.
What are the key properties of 1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-2-[(sulfinamoylamino)methyl]azetidine?
1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-2-[(sulfinamoylamino)methyl]azetidine has a molecular weight of 405.47 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-2-[(sulfinamoylamino)methyl]azetidine is sourced from PubChem (CID 170293937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).