8-[4-(difluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-3-one

C15H18F2N2O4S — CID 56707301

IUPAC8-[4-(difluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)CN1
InChIInChI=1S/C15H18F2N2O4S/c16-14(17)23-11-1-3-12(4-2-11)24(21,22)19-7-5-15(6-8-19)9-13(20)18-10-15/h1-4,14H,5-10H2,(H,18,20)
InChIKeyYVHALFZIRKFIFT-UHFFFAOYSA-N
MW360.38 g/mol
LogP1.58
Rot. Bonds4

About 8-[4-(difluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-3-one

8-[4-(difluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 56707301) has the molecular formula C15H18F2N2O4S and a molecular weight of 360.38 g/mol. Its IUPAC name is 8-[4-(difluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[4-(difluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID56707301
Molecular FormulaC15H18F2N2O4S
Molecular Weight360.38 g/mol
Exact Mass360.10
IUPAC Name8-[4-(difluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)CN1
InChIInChI=1S/C15H18F2N2O4S/c16-14(17)23-11-1-3-12(4-2-11)24(21,22)19-7-5-15(6-8-19)9-13(20)18-10-15/h1-4,14H,5-10H2,(H,18,20)
InChIKeyYVHALFZIRKFIFT-UHFFFAOYSA-N
XLogP1.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[4-(difluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-3-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

DPP-4 ligand 14
CID 23647142
N-{[1-(cyclopentylcarbonyl)-3-piperidinyl]methyl}-4-methoxybenzenesulfonamide
CID 16189375
1-(4-Methoxy-benzenesulfonyl)-piperidine-3-carboxylic acid cyclohexylamide
CID 645701
1-(4-Methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088331
1-{N-[(4-methoxyphenyl)sulfonyl]-N-methylglycyl}piperidine-4-carboxamide
CID 982331
N-cycloheptyl-1-[(4-methoxyphenyl)sulfonyl]-4-piperidinecarboxamide
CID 1075447
1-(4-Methoxy-benzenesulfonyl)-piperidine-4-carboxylic acid cyclopropylmethyl-amide
CID 1458164
1-[(4-methoxyphenyl)sulfonyl]-N-(tetrahydro-2-furanylmethyl)-4-piperidinecarboxamide
CID 2925242
4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclohexane-1-carboxamide
CID 5323389
Bes(4-OMe)-Val-Pro-DL-Val-CF3
CID 10626170
N-{[1-(cyclopentylacetyl)piperidin-3-yl]methyl}-4-methoxybenzenesulfonamide
CID 16189492
N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-1-[(4-methoxyphenyl)sulfonyl]piperidine-4-carboxamide
CID 17583817

Frequently Asked Questions

What is the IUPAC name of 8-[4-(difluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[4-(difluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-3-one (CID 56707301) is 8-[4-(difluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[4-(difluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[4-(difluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)CN1.
What is the InChIKey of 8-[4-(difluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is YVHALFZIRKFIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O4S/c16-14(17)23-11-1-3-12(4-2-11)24(21,22)19-7-5-15(6-8-19)9-13(20)18-10-15/h1-4,14H,5-10H2,(H,18,20).
What are the key properties of 8-[4-(difluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-3-one?
8-[4-(difluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 360.38 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(difluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 56707301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).