(4R,5S)-2-[(3-fluorophenyl)methylsulfonyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one

C21H23FN2O3S — CID 110129768

IUPAC(4R,5S)-2-[(3-fluorophenyl)methylsulfonyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
SMILESO=C1CCC[C@]2(CN(S(=O)(=O)Cc3cccc(F)c3)C[C@H]2c2ccccc2)N1
InChIInChI=1S/C21H23FN2O3S/c22-18-9-4-6-16(12-18)14-28(26,27)24-13-19(17-7-2-1-3-8-17)21(15-24)11-5-10-20(25)23-21/h1-4,6-9,12,19H,5,10-11,13-15H2,(H,23,25)/t19-,21+/m0/s1
InChIKeyAQZNOYAWTFSHQU-PZJWPPBQSA-N
MW402.49 g/mol
LogP2.79
Rot. Bonds4

About (4R,5S)-2-[(3-fluorophenyl)methylsulfonyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one

(4R,5S)-2-[(3-fluorophenyl)methylsulfonyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one (PubChem CID 110129768) has the molecular formula C21H23FN2O3S and a molecular weight of 402.49 g/mol. Its IUPAC name is (4R,5S)-2-[(3-fluorophenyl)methylsulfonyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name(4R,5S)-2-[(3-fluorophenyl)methylsulfonyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
PubChem CID110129768
Molecular FormulaC21H23FN2O3S
Molecular Weight402.49 g/mol
Exact Mass402.14
IUPAC Name(4R,5S)-2-[(3-fluorophenyl)methylsulfonyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
SMILESO=C1CCC[C@]2(CN(S(=O)(=O)Cc3cccc(F)c3)C[C@H]2c2ccccc2)N1
InChIInChI=1S/C21H23FN2O3S/c22-18-9-4-6-16(12-18)14-28(26,27)24-13-19(17-7-2-1-3-8-17)21(15-24)11-5-10-20(25)23-21/h1-4,6-9,12,19H,5,10-11,13-15H2,(H,23,25)/t19-,21+/m0/s1
InChIKeyAQZNOYAWTFSHQU-PZJWPPBQSA-N
XLogP2.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R,5S)-2-[(3-fluorophenyl)methylsulfonyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-[(3-fluorophenyl)methylsulfonyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one?
The IUPAC name of (4R,5S)-2-[(3-fluorophenyl)methylsulfonyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one (CID 110129768) is (4R,5S)-2-[(3-fluorophenyl)methylsulfonyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one.
What is the SMILES notation for (4R,5S)-2-[(3-fluorophenyl)methylsulfonyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one?
The canonical SMILES for (4R,5S)-2-[(3-fluorophenyl)methylsulfonyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one is O=C1CCC[C@]2(CN(S(=O)(=O)Cc3cccc(F)c3)C[C@H]2c2ccccc2)N1.
What is the InChIKey of (4R,5S)-2-[(3-fluorophenyl)methylsulfonyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one?
The InChIKey is AQZNOYAWTFSHQU-PZJWPPBQSA-N. The full InChI is InChI=1S/C21H23FN2O3S/c22-18-9-4-6-16(12-18)14-28(26,27)24-13-19(17-7-2-1-3-8-17)21(15-24)11-5-10-20(25)23-21/h1-4,6-9,12,19H,5,10-11,13-15H2,(H,23,25)/t19-,21+/m0/s1.
What are the key properties of (4R,5S)-2-[(3-fluorophenyl)methylsulfonyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one?
(4R,5S)-2-[(3-fluorophenyl)methylsulfonyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one has a molecular weight of 402.49 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-[(3-fluorophenyl)methylsulfonyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 110129768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).