[8-[2,5-difluoro-4-[(3-methyl-1,1-dioxothiazinan-2-yl)methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-yl]oxy-trimethylsilane

C23H35F2NO5SSi — CID 123662680

IUPAC[8-[2,5-difluoro-4-[(3-methyl-1,1-dioxothiazinan-2-yl)methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-yl]oxy-trimethylsilane
SMILESCC1CCCS(=O)(=O)N1Cc1cc(F)c(C2(O[Si](C)(C)C)CCC3(CC2)OCCO3)cc1F
InChIInChI=1S/C23H35F2NO5SSi/c1-17-6-5-13-32(27,28)26(17)16-18-14-21(25)19(15-20(18)24)22(31-33(2,3)4)7-9-23(10-8-22)29-11-12-30-23/h14-15,17H,5-13,16H2,1-4H3
InChIKeyLBATYXFMEOHWQD-UHFFFAOYSA-N
MW503.68 g/mol
LogP4.64
Rot. Bonds5

About [8-[2,5-difluoro-4-[(3-methyl-1,1-dioxothiazinan-2-yl)methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-yl]oxy-trimethylsilane

[8-[2,5-difluoro-4-[(3-methyl-1,1-dioxothiazinan-2-yl)methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-yl]oxy-trimethylsilane (PubChem CID 123662680) has the molecular formula C23H35F2NO5SSi and a molecular weight of 503.68 g/mol. Its IUPAC name is [8-[2,5-difluoro-4-[(3-methyl-1,1-dioxothiazinan-2-yl)methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[8-[2,5-difluoro-4-[(3-methyl-1,1-dioxothiazinan-2-yl)methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-yl]oxy-trimethylsilane
PubChem CID123662680
Molecular FormulaC23H35F2NO5SSi
Molecular Weight503.68 g/mol
Exact Mass503.20
IUPAC Name[8-[2,5-difluoro-4-[(3-methyl-1,1-dioxothiazinan-2-yl)methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-yl]oxy-trimethylsilane
SMILESCC1CCCS(=O)(=O)N1Cc1cc(F)c(C2(O[Si](C)(C)C)CCC3(CC2)OCCO3)cc1F
InChIInChI=1S/C23H35F2NO5SSi/c1-17-6-5-13-32(27,28)26(17)16-18-14-21(25)19(15-20(18)24)22(31-33(2,3)4)7-9-23(10-8-22)29-11-12-30-23/h14-15,17H,5-13,16H2,1-4H3
InChIKeyLBATYXFMEOHWQD-UHFFFAOYSA-N
XLogP4.64
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.68
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [8-[2,5-difluoro-4-[(3-methyl-1,1-dioxothiazinan-2-yl)methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-yl]oxy-trimethylsilane 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 [8-[2,5-difluoro-4-[(3-methyl-1,1-dioxothiazinan-2-yl)methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-yl]oxy-trimethylsilane?
The IUPAC name of [8-[2,5-difluoro-4-[(3-methyl-1,1-dioxothiazinan-2-yl)methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-yl]oxy-trimethylsilane (CID 123662680) is [8-[2,5-difluoro-4-[(3-methyl-1,1-dioxothiazinan-2-yl)methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-yl]oxy-trimethylsilane.
What is the SMILES notation for [8-[2,5-difluoro-4-[(3-methyl-1,1-dioxothiazinan-2-yl)methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-yl]oxy-trimethylsilane?
The canonical SMILES for [8-[2,5-difluoro-4-[(3-methyl-1,1-dioxothiazinan-2-yl)methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-yl]oxy-trimethylsilane is CC1CCCS(=O)(=O)N1Cc1cc(F)c(C2(O[Si](C)(C)C)CCC3(CC2)OCCO3)cc1F.
What is the InChIKey of [8-[2,5-difluoro-4-[(3-methyl-1,1-dioxothiazinan-2-yl)methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-yl]oxy-trimethylsilane?
The InChIKey is LBATYXFMEOHWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35F2NO5SSi/c1-17-6-5-13-32(27,28)26(17)16-18-14-21(25)19(15-20(18)24)22(31-33(2,3)4)7-9-23(10-8-22)29-11-12-30-23/h14-15,17H,5-13,16H2,1-4H3.
What are the key properties of [8-[2,5-difluoro-4-[(3-methyl-1,1-dioxothiazinan-2-yl)methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-yl]oxy-trimethylsilane?
[8-[2,5-difluoro-4-[(3-methyl-1,1-dioxothiazinan-2-yl)methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-yl]oxy-trimethylsilane has a molecular weight of 503.68 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[2,5-difluoro-4-[(3-methyl-1,1-dioxothiazinan-2-yl)methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-yl]oxy-trimethylsilane is sourced from PubChem (CID 123662680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).