8-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-ol

C26H32FNO5S — CID 118232762

IUPAC8-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-ol
SMILESC[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(C2(O)CCC3(CC2)OCCO3)cc1F
InChIInChI=1S/C26H32FNO5S/c1-19-7-10-24(20-5-3-2-4-6-20)34(30,31)28(19)18-21-8-9-22(17-23(21)27)25(29)11-13-26(14-12-25)32-15-16-33-26/h2-6,8-9,17,19,24,29H,7,10-16,18H2,1H3/t19-,24+/m0/s1
InChIKeyRKKKZLQUKUODTM-YADARESESA-N
MW489.61 g/mol
LogP4.39
Rot. Bonds4

About 8-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-ol

8-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 118232762) has the molecular formula C26H32FNO5S and a molecular weight of 489.61 g/mol. Its IUPAC name is 8-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID118232762
Molecular FormulaC26H32FNO5S
Molecular Weight489.61 g/mol
Exact Mass489.20
IUPAC Name8-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-ol
SMILESC[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(C2(O)CCC3(CC2)OCCO3)cc1F
InChIInChI=1S/C26H32FNO5S/c1-19-7-10-24(20-5-3-2-4-6-20)34(30,31)28(19)18-21-8-9-22(17-23(21)27)25(29)11-13-26(14-12-25)32-15-16-33-26/h2-6,8-9,17,19,24,29H,7,10-16,18H2,1H3/t19-,24+/m0/s1
InChIKeyRKKKZLQUKUODTM-YADARESESA-N
XLogP4.39
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.61
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-ol with MolForge

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Related Compounds

US9751873, Example 138
CID 118222917
US9751873, Example 134
CID 118223003
US9751873, Example 137
CID 118223160
3-[2,5-difluoro-4-[[(3S,6R)-6-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]oxetan-3-ol
CID 129136802
8-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 118225297
8-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 118232545
(2S)-3-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]oxypropane-1,2-diol
CID 118232598
3-[4-[3-Fluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxan-4-yl]oxypropane-1,2-diol
CID 123189344
3-[4-[2,5-Difluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxan-4-yl]oxypropan-1-ol
CID 123315439
[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
8-[2,5-Difluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 123684736
8-[3-Fluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 123944994

Frequently Asked Questions

What is the IUPAC name of 8-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-ol (CID 118232762) is 8-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-ol is C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(C2(O)CCC3(CC2)OCCO3)cc1F.
What is the InChIKey of 8-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is RKKKZLQUKUODTM-YADARESESA-N. The full InChI is InChI=1S/C26H32FNO5S/c1-19-7-10-24(20-5-3-2-4-6-20)34(30,31)28(19)18-21-8-9-22(17-23(21)27)25(29)11-13-26(14-12-25)32-15-16-33-26/h2-6,8-9,17,19,24,29H,7,10-16,18H2,1H3/t19-,24+/m0/s1.
What are the key properties of 8-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-ol?
8-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 489.61 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 118232762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).