2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]ethanol

C25H32FNO4S — CID 118232637

IUPAC2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]ethanol
SMILESC[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(C2(CCO)CCOCC2)cc1F
InChIInChI=1S/C25H32FNO4S/c1-19-7-10-24(20-5-3-2-4-6-20)32(29,30)27(19)18-21-8-9-22(17-23(21)26)25(11-14-28)12-15-31-16-13-25/h2-6,8-9,17,19,24,28H,7,10-16,18H2,1H3/t19-,24+/m0/s1
InChIKeyXZIWLUPFKUYFKZ-YADARESESA-N
MW461.60 g/mol
LogP4.31
Rot. Bonds6

About 2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]ethanol

2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]ethanol (PubChem CID 118232637) has the molecular formula C25H32FNO4S and a molecular weight of 461.60 g/mol. Its IUPAC name is 2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]ethanol
PubChem CID118232637
Molecular FormulaC25H32FNO4S
Molecular Weight461.60 g/mol
Exact Mass461.20
IUPAC Name2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]ethanol
SMILESC[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(C2(CCO)CCOCC2)cc1F
InChIInChI=1S/C25H32FNO4S/c1-19-7-10-24(20-5-3-2-4-6-20)32(29,30)27(19)18-21-8-9-22(17-23(21)26)25(11-14-28)12-15-31-16-13-25/h2-6,8-9,17,19,24,28H,7,10-16,18H2,1H3/t19-,24+/m0/s1
InChIKeyXZIWLUPFKUYFKZ-YADARESESA-N
XLogP4.31
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.60
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]ethanol 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-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-3-(oxetan-3-yl)propan-1-ol
CID 118222973
US9751873, Example 113
CID 118222938
US9751873, Example 119
CID 118222965
US9751873, Example 100
CID 118222980
US9751873, Example 132
CID 118222990
US9751873, Example 121
CID 118222992
US9751873, Example 116
CID 118223056
US9751873, Example 57
CID 118223097
US9751873, Example 135
CID 118223122
US9751873, Example 128
CID 118223127
US9751873, Example 101
CID 118223159
(3S,6R)-2-[[4-(3,6-dihydro-2H-pyran-4-yl)-2-fluorophenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide
CID 118222989

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]ethanol?
The IUPAC name of 2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]ethanol (CID 118232637) is 2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]ethanol.
What is the SMILES notation for 2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]ethanol?
The canonical SMILES for 2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]ethanol is C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(C2(CCO)CCOCC2)cc1F.
What is the InChIKey of 2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]ethanol?
The InChIKey is XZIWLUPFKUYFKZ-YADARESESA-N. The full InChI is InChI=1S/C25H32FNO4S/c1-19-7-10-24(20-5-3-2-4-6-20)32(29,30)27(19)18-21-8-9-22(17-23(21)26)25(11-14-28)12-15-31-16-13-25/h2-6,8-9,17,19,24,28H,7,10-16,18H2,1H3/t19-,24+/m0/s1.
What are the key properties of 2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]ethanol?
2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]ethanol has a molecular weight of 461.60 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]ethanol is sourced from PubChem (CID 118232637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).