4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-ol

C22H26FNO4S — CID 139542266

IUPAC4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-ol
SMILESO=S1(=O)[C@@H](c2ccccc2)CCCN1Cc1ccc(C2(O)CCOCC2)cc1F
InChIInChI=1S/C22H26FNO4S/c23-20-15-19(22(25)10-13-28-14-11-22)9-8-18(20)16-24-12-4-7-21(29(24,26)27)17-5-2-1-3-6-17/h1-3,5-6,8-9,15,21,25H,4,7,10-14,16H2/t21-/m1/s1
InChIKeyXWOYWLRHOIEXKJ-OAQYLSRUSA-N
MW419.52 g/mol
LogP3.49
Rot. Bonds4

About 4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-ol

4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-ol (PubChem CID 139542266) has the molecular formula C22H26FNO4S and a molecular weight of 419.52 g/mol. Its IUPAC name is 4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-ol.

Molecular Properties

Compound Name4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-ol
PubChem CID139542266
Molecular FormulaC22H26FNO4S
Molecular Weight419.52 g/mol
Exact Mass419.16
IUPAC Name4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-ol
SMILESO=S1(=O)[C@@H](c2ccccc2)CCCN1Cc1ccc(C2(O)CCOCC2)cc1F
InChIInChI=1S/C22H26FNO4S/c23-20-15-19(22(25)10-13-28-14-11-22)9-8-18(20)16-24-12-4-7-21(29(24,26)27)17-5-2-1-3-6-17/h1-3,5-6,8-9,15,21,25H,4,7,10-14,16H2/t21-/m1/s1
InChIKeyXWOYWLRHOIEXKJ-OAQYLSRUSA-N
XLogP3.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-ol with MolForge

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Related Compounds

3-[4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-yl]-N-methylpropanamide
CID 139542142
4-[3-fluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxan-4-amine
CID 123437580
2-[4-[3-fluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxan-4-yl]acetamide
CID 123725565
N-ethyl-4-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxane-4-carboxamide
CID 139542406
methyl 4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxane-4-carboxylate
CID 118232533
[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]methylcarbamic acid
CID 118232489
2-[[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]methoxy]acetic acid
CID 139528831
ethyl 3-[4-[3-fluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxan-4-yl]-3-hydroxypropanoate
CID 123671266
ethyl (3R)-3-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]-3-hydroxypropanoate
CID 129129997
4-[3-fluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]-N-propyloxane-4-carboxamide
CID 123199015
(E)-3-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]prop-2-enenitrile
CID 118232488
1-[4-[4-[[(3S)-4,4-dioxo-3-phenyl-1,4,5-oxathiazepan-5-yl]methyl]-3-fluorophenyl]piperazin-1-yl]ethanone
CID 155554971

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-ol?
The IUPAC name of 4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-ol (CID 139542266) is 4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-ol.
What is the SMILES notation for 4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-ol?
The canonical SMILES for 4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-ol is O=S1(=O)[C@@H](c2ccccc2)CCCN1Cc1ccc(C2(O)CCOCC2)cc1F.
What is the InChIKey of 4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-ol?
The InChIKey is XWOYWLRHOIEXKJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H26FNO4S/c23-20-15-19(22(25)10-13-28-14-11-22)9-8-18(20)16-24-12-4-7-21(29(24,26)27)17-5-2-1-3-6-17/h1-3,5-6,8-9,15,21,25H,4,7,10-14,16H2/t21-/m1/s1.
What are the key properties of 4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-ol?
4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-ol has a molecular weight of 419.52 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-ol is sourced from PubChem (CID 139542266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).