7-[(2,3-difluorophenyl)methyl]-2-propylsulfonyl-2,7-diazaspiro[4.5]decan-6-one

C18H24F2N2O3S — CID 45190107

IUPAC7-[(2,3-difluorophenyl)methyl]-2-propylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCS(=O)(=O)N1CCC2(CCCN(Cc3cccc(F)c3F)C2=O)C1
InChIInChI=1S/C18H24F2N2O3S/c1-2-11-26(24,25)22-10-8-18(13-22)7-4-9-21(17(18)23)12-14-5-3-6-15(19)16(14)20/h3,5-6H,2,4,7-13H2,1H3
InChIKeyNXNIXOXQZZLBQJ-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.52
Rot. Bonds5

About 7-[(2,3-difluorophenyl)methyl]-2-propylsulfonyl-2,7-diazaspiro[4.5]decan-6-one

7-[(2,3-difluorophenyl)methyl]-2-propylsulfonyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45190107) has the molecular formula C18H24F2N2O3S and a molecular weight of 386.46 g/mol. Its IUPAC name is 7-[(2,3-difluorophenyl)methyl]-2-propylsulfonyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-[(2,3-difluorophenyl)methyl]-2-propylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45190107
Molecular FormulaC18H24F2N2O3S
Molecular Weight386.46 g/mol
Exact Mass386.15
IUPAC Name7-[(2,3-difluorophenyl)methyl]-2-propylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCS(=O)(=O)N1CCC2(CCCN(Cc3cccc(F)c3F)C2=O)C1
InChIInChI=1S/C18H24F2N2O3S/c1-2-11-26(24,25)22-10-8-18(13-22)7-4-9-21(17(18)23)12-14-5-3-6-15(19)16(14)20/h3,5-6H,2,4,7-13H2,1H3
InChIKeyNXNIXOXQZZLBQJ-UHFFFAOYSA-N
XLogP2.52
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[(2,3-difluorophenyl)methyl]-2-propylsulfonyl-2,7-diazaspiro[4.5]decan-6-one with MolForge

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

Launch Full Analysis

Related Compounds

N-{3-[benzyl(methyl)amino]propyl}-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3240860
N-{3-[benzyl(butyl)amino]propyl}-1-(ethylsulfonyl)piperidine-3-carboxamide
CID 3244924
N-{2-[benzyl(methyl)amino]ethyl}-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3245725
N-{3-[benzyl(methyl)amino]propyl}-1-(ethylsulfonyl)piperidine-3-carboxamide
CID 3242325
N-{2-[benzyl(methyl)amino]ethyl}-1-(ethylsulfonyl)piperidine-3-carboxamide
CID 3243104
N-[(4-fluorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide
CID 3319672
2-(Cyclopentylmethyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45171090
N-cyclopropylsulfonyl-1-(2,6-difluorobenzoyl)-3-methylpyrrolidine-3-carboxamide
CID 46948108
N-cyclopropylsulfonyl-1-(2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxamide
CID 46948621
N-cyclopropylsulfonyl-1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidine-3-carboxamide
CID 46948681
1-(2-fluorobenzoyl)-3-methyl-N-propylsulfonylpiperidine-3-carboxamide
CID 49778336
3-methyl-N-propylsulfonyl-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxamide
CID 49790594

Frequently Asked Questions

What is the IUPAC name of 7-[(2,3-difluorophenyl)methyl]-2-propylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-[(2,3-difluorophenyl)methyl]-2-propylsulfonyl-2,7-diazaspiro[4.5]decan-6-one (CID 45190107) is 7-[(2,3-difluorophenyl)methyl]-2-propylsulfonyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-[(2,3-difluorophenyl)methyl]-2-propylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-[(2,3-difluorophenyl)methyl]-2-propylsulfonyl-2,7-diazaspiro[4.5]decan-6-one is CCCS(=O)(=O)N1CCC2(CCCN(Cc3cccc(F)c3F)C2=O)C1.
What is the InChIKey of 7-[(2,3-difluorophenyl)methyl]-2-propylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is NXNIXOXQZZLBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O3S/c1-2-11-26(24,25)22-10-8-18(13-22)7-4-9-21(17(18)23)12-14-5-3-6-15(19)16(14)20/h3,5-6H,2,4,7-13H2,1H3.
What are the key properties of 7-[(2,3-difluorophenyl)methyl]-2-propylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
7-[(2,3-difluorophenyl)methyl]-2-propylsulfonyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 386.46 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,3-difluorophenyl)methyl]-2-propylsulfonyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45190107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).