8-(4-fluorophenyl)sulfonyl-1,8-diazaspiro[4.5]decan-2-one

C14H17FN2O3S — CID 97397045

IUPAC8-(4-fluorophenyl)sulfonyl-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N1
InChIInChI=1S/C14H17FN2O3S/c15-11-1-3-12(4-2-11)21(19,20)17-9-7-14(8-10-17)6-5-13(18)16-14/h1-4H,5-10H2,(H,16,18)
InChIKeyOBCFWIYXGKUXSK-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.26
Rot. Bonds2

About 8-(4-fluorophenyl)sulfonyl-1,8-diazaspiro[4.5]decan-2-one

8-(4-fluorophenyl)sulfonyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97397045) has the molecular formula C14H17FN2O3S and a molecular weight of 312.37 g/mol. Its IUPAC name is 8-(4-fluorophenyl)sulfonyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(4-fluorophenyl)sulfonyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97397045
Molecular FormulaC14H17FN2O3S
Molecular Weight312.37 g/mol
Exact Mass312.09
IUPAC Name8-(4-fluorophenyl)sulfonyl-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N1
InChIInChI=1S/C14H17FN2O3S/c15-11-1-3-12(4-2-11)21(19,20)17-9-7-14(8-10-17)6-5-13(18)16-14/h1-4H,5-10H2,(H,16,18)
InChIKeyOBCFWIYXGKUXSK-UHFFFAOYSA-N
XLogP1.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(4-fluorophenyl)sulfonyl-1,8-diazaspiro[4.5]decan-2-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

2-(4-fluorophenyl)sulfonyl-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one
CID 146066921
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 4510553
ethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one
CID 143985374
8-(4-fluorophenyl)sulfonyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110504335
(5S)-9-(4-fluorophenyl)sulfonyl-1-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97484696
8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91802635
1-(4-fluorophenyl)sulfonylpiperazin-4-ium
CID 2063341
8-(4-fluorophenyl)sulfonyl-4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
CID 91920529
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonyl-1,4-diazepane
CID 38257109
(5S,10S)-10-ethyl-9-(4-fluorophenyl)sulfonyl-1,9-diazaspiro[4.5]decan-2-one
CID 98810331
(5R,10S)-10-ethyl-9-(4-fluorophenyl)sulfonyl-1,9-diazaspiro[4.5]decan-2-one
CID 124820969
(1-aminocyclopentyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 119265625

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)sulfonyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(4-fluorophenyl)sulfonyl-1,8-diazaspiro[4.5]decan-2-one (CID 97397045) is 8-(4-fluorophenyl)sulfonyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(4-fluorophenyl)sulfonyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(4-fluorophenyl)sulfonyl-1,8-diazaspiro[4.5]decan-2-one is O=C1CCC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N1.
What is the InChIKey of 8-(4-fluorophenyl)sulfonyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is OBCFWIYXGKUXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3S/c15-11-1-3-12(4-2-11)21(19,20)17-9-7-14(8-10-17)6-5-13(18)16-14/h1-4H,5-10H2,(H,16,18).
What are the key properties of 8-(4-fluorophenyl)sulfonyl-1,8-diazaspiro[4.5]decan-2-one?
8-(4-fluorophenyl)sulfonyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 312.37 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)sulfonyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97397045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).