1-[8-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol

C26H34F2N2O2S — CID 142590705

IUPAC1-[8-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol
SMILESCC(O)CN1CCC2(CCN(CCS(=O)C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C26H34F2N2O2S/c1-20(31)18-30-15-12-26(19-30)10-13-29(14-11-26)16-17-33(32)25(21-2-6-23(27)7-3-21)22-4-8-24(28)9-5-22/h2-9,20,25,31H,10-19H2,1H3
InChIKeyIDDVNJZVTRKKQW-UHFFFAOYSA-N
MW476.63 g/mol
LogP3.97
Rot. Bonds8

About 1-[8-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol

1-[8-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol (PubChem CID 142590705) has the molecular formula C26H34F2N2O2S and a molecular weight of 476.63 g/mol. Its IUPAC name is 1-[8-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[8-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol
PubChem CID142590705
Molecular FormulaC26H34F2N2O2S
Molecular Weight476.63 g/mol
Exact Mass476.23
IUPAC Name1-[8-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol
SMILESCC(O)CN1CCC2(CCN(CCS(=O)C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C26H34F2N2O2S/c1-20(31)18-30-15-12-26(19-30)10-13-29(14-11-26)16-17-33(32)25(21-2-6-23(27)7-3-21)22-4-8-24(28)9-5-22/h2-9,20,25,31H,10-19H2,1H3
InChIKeyIDDVNJZVTRKKQW-UHFFFAOYSA-N
XLogP3.97
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.63
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[8-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol 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 1-[8-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol?
The IUPAC name of 1-[8-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol (CID 142590705) is 1-[8-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol.
What is the SMILES notation for 1-[8-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol?
The canonical SMILES for 1-[8-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol is CC(O)CN1CCC2(CCN(CCS(=O)C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1.
What is the InChIKey of 1-[8-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol?
The InChIKey is IDDVNJZVTRKKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F2N2O2S/c1-20(31)18-30-15-12-26(19-30)10-13-29(14-11-26)16-17-33(32)25(21-2-6-23(27)7-3-21)22-4-8-24(28)9-5-22/h2-9,20,25,31H,10-19H2,1H3.
What are the key properties of 1-[8-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol?
1-[8-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol has a molecular weight of 476.63 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol is sourced from PubChem (CID 142590705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).