2-(4-cyclopropylphenyl)-8-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane

C24H26F4N2O2S — CID 123565629

IUPAC2-(4-cyclopropylphenyl)-8-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC2(CCN(c3ccc(C4CC4)cc3)C2)CC1
InChIInChI=1S/C24H26F4N2O2S/c25-19-5-8-22(21(15-19)24(26,27)28)33(31,32)30-13-10-23(11-14-30)9-12-29(16-23)20-6-3-18(4-7-20)17-1-2-17/h3-8,15,17H,1-2,9-14,16H2
InChIKeySIJOCBIPFIZNFC-UHFFFAOYSA-N
MW482.54 g/mol
LogP5.40
Rot. Bonds4

About 2-(4-cyclopropylphenyl)-8-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane

2-(4-cyclopropylphenyl)-8-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane (PubChem CID 123565629) has the molecular formula C24H26F4N2O2S and a molecular weight of 482.54 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-8-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-8-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane
PubChem CID123565629
Molecular FormulaC24H26F4N2O2S
Molecular Weight482.54 g/mol
Exact Mass482.17
IUPAC Name2-(4-cyclopropylphenyl)-8-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC2(CCN(c3ccc(C4CC4)cc3)C2)CC1
InChIInChI=1S/C24H26F4N2O2S/c25-19-5-8-22(21(15-19)24(26,27)28)33(31,32)30-13-10-23(11-14-30)9-12-29(16-23)20-6-3-18(4-7-20)17-1-2-17/h3-8,15,17H,1-2,9-14,16H2
InChIKeySIJOCBIPFIZNFC-UHFFFAOYSA-N
XLogP5.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.54
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-(4-cyclopropylphenyl)-8-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane 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

1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
CID 119959137
8-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane
CID 123201368
1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine
CID 119980033
2-fluoro-1-[4-[8-[2-(trifluoromethyl)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-2-yl]phenyl]ethanol
CID 123462501
1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 119961668
(3R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine
CID 119962610
9-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[5.5]undecane
CID 66787483
1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 43394334
(3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97239536
1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977697
1-(2,4-difluorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 134017145
8-(2-chlorophenyl)sulfonyl-2-(4-cyclopentyloxyphenyl)-2,8-diazaspiro[4.5]decane
CID 66787394

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-8-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(4-cyclopropylphenyl)-8-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane (CID 123565629) is 2-(4-cyclopropylphenyl)-8-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-8-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(4-cyclopropylphenyl)-8-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane is O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC2(CCN(c3ccc(C4CC4)cc3)C2)CC1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-8-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane?
The InChIKey is SIJOCBIPFIZNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4N2O2S/c25-19-5-8-22(21(15-19)24(26,27)28)33(31,32)30-13-10-23(11-14-30)9-12-29(16-23)20-6-3-18(4-7-20)17-1-2-17/h3-8,15,17H,1-2,9-14,16H2.
What are the key properties of 2-(4-cyclopropylphenyl)-8-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane?
2-(4-cyclopropylphenyl)-8-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane has a molecular weight of 482.54 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-8-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 123565629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).