[2-(2-fluoro-6-phenylphenyl)cyclopropyl]-[3-(methylsulfanylamino)piperidin-1-yl]methanone

C22H25FN2OS — CID 169239911

IUPAC[2-(2-fluoro-6-phenylphenyl)cyclopropyl]-[3-(methylsulfanylamino)piperidin-1-yl]methanone
SMILESCSNC1CCCN(C(=O)C2CC2c2c(F)cccc2-c2ccccc2)C1
InChIInChI=1S/C22H25FN2OS/c1-27-24-16-9-6-12-25(14-16)22(26)19-13-18(19)21-17(10-5-11-20(21)23)15-7-3-2-4-8-15/h2-5,7-8,10-11,16,18-19,24H,6,9,12-14H2,1H3
InChIKeyIQPIZKFAIHAEJJ-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.45
Rot. Bonds5

About [2-(2-fluoro-6-phenylphenyl)cyclopropyl]-[3-(methylsulfanylamino)piperidin-1-yl]methanone

[2-(2-fluoro-6-phenylphenyl)cyclopropyl]-[3-(methylsulfanylamino)piperidin-1-yl]methanone (PubChem CID 169239911) has the molecular formula C22H25FN2OS and a molecular weight of 384.52 g/mol. Its IUPAC name is [2-(2-fluoro-6-phenylphenyl)cyclopropyl]-[3-(methylsulfanylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-fluoro-6-phenylphenyl)cyclopropyl]-[3-(methylsulfanylamino)piperidin-1-yl]methanone
PubChem CID169239911
Molecular FormulaC22H25FN2OS
Molecular Weight384.52 g/mol
Exact Mass384.17
IUPAC Name[2-(2-fluoro-6-phenylphenyl)cyclopropyl]-[3-(methylsulfanylamino)piperidin-1-yl]methanone
SMILESCSNC1CCCN(C(=O)C2CC2c2c(F)cccc2-c2ccccc2)C1
InChIInChI=1S/C22H25FN2OS/c1-27-24-16-9-6-12-25(14-16)22(26)19-13-18(19)21-17(10-5-11-20(21)23)15-7-3-2-4-8-15/h2-5,7-8,10-11,16,18-19,24H,6,9,12-14H2,1H3
InChIKeyIQPIZKFAIHAEJJ-UHFFFAOYSA-N
XLogP4.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[3-(difluoromethyl)-2-phenylphenyl]cyclopropyl]-[3-(methylsulfanylamino)piperidin-1-yl]methanone
CID 169240184
[2-[2-(2,6-difluorophenyl)-4-fluorophenyl]cyclopropyl]-[3-(methylsulfanylamino)piperidin-1-yl]methanone
CID 170293763
[2-[2-(3,5-difluorophenyl)phenyl]cyclopropyl]-[3-(methylsulfanylamino)piperidin-1-yl]methanone
CID 169240140
N-[(3S)-1-[(1S,2S)-2-(2-phenylphenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 176849179
N-[(3S)-1-[(1R,2R)-2-(4-fluoro-3-methyl-2-phenylphenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 176848935
[2-(2,6-difluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone
CID 111421550
N-[1-[2-[2-(2,6-difluorophenyl)-6-fluorophenyl]cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide
CID 176848260
[2-[3-(2-fluorophenyl)thiolan-2-yl]cyclopropyl]-[3-(methylsulfanylamino)piperidin-1-yl]methanone
CID 170294021
N-[1-[2-(2-methyl-6-phenylphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 176848561
N-[(3R)-1-[(1R,2R)-2-[2-(2-chlorophenyl)-6-fluorophenyl]cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 176848939
1-bromo-N-[(3S)-1-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 176849010
CID 169240147
CID 169240147

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-6-phenylphenyl)cyclopropyl]-[3-(methylsulfanylamino)piperidin-1-yl]methanone?
The IUPAC name of [2-(2-fluoro-6-phenylphenyl)cyclopropyl]-[3-(methylsulfanylamino)piperidin-1-yl]methanone (CID 169239911) is [2-(2-fluoro-6-phenylphenyl)cyclopropyl]-[3-(methylsulfanylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(2-fluoro-6-phenylphenyl)cyclopropyl]-[3-(methylsulfanylamino)piperidin-1-yl]methanone?
The canonical SMILES for [2-(2-fluoro-6-phenylphenyl)cyclopropyl]-[3-(methylsulfanylamino)piperidin-1-yl]methanone is CSNC1CCCN(C(=O)C2CC2c2c(F)cccc2-c2ccccc2)C1.
What is the InChIKey of [2-(2-fluoro-6-phenylphenyl)cyclopropyl]-[3-(methylsulfanylamino)piperidin-1-yl]methanone?
The InChIKey is IQPIZKFAIHAEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2OS/c1-27-24-16-9-6-12-25(14-16)22(26)19-13-18(19)21-17(10-5-11-20(21)23)15-7-3-2-4-8-15/h2-5,7-8,10-11,16,18-19,24H,6,9,12-14H2,1H3.
What are the key properties of [2-(2-fluoro-6-phenylphenyl)cyclopropyl]-[3-(methylsulfanylamino)piperidin-1-yl]methanone?
[2-(2-fluoro-6-phenylphenyl)cyclopropyl]-[3-(methylsulfanylamino)piperidin-1-yl]methanone has a molecular weight of 384.52 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-6-phenylphenyl)cyclopropyl]-[3-(methylsulfanylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 169239911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).