[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol

C13H18FNO4S — CID 104961473

IUPAC[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(CO)cc2F)C[C@H](C)O1
InChIInChI=1S/C13H18FNO4S/c1-9-6-15(7-10(2)19-9)20(17,18)13-4-3-11(8-16)5-12(13)14/h3-5,9-10,16H,6-8H2,1-2H3/t9-,10+
InChIKeyFGTBZQFHVBLHIB-AOOOYVTPSA-N
MW303.36 g/mol
LogP1.12
Rot. Bonds3

About [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol

[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol (PubChem CID 104961473) has the molecular formula C13H18FNO4S and a molecular weight of 303.36 g/mol. Its IUPAC name is [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol
PubChem CID104961473
Molecular FormulaC13H18FNO4S
Molecular Weight303.36 g/mol
Exact Mass303.09
IUPAC Name[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(CO)cc2F)C[C@H](C)O1
InChIInChI=1S/C13H18FNO4S/c1-9-6-15(7-10(2)19-9)20(17,18)13-4-3-11(8-16)5-12(13)14/h3-5,9-10,16H,6-8H2,1-2H3/t9-,10+
InChIKeyFGTBZQFHVBLHIB-AOOOYVTPSA-N
XLogP1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol with MolForge

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Related Compounds

[4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanol
CID 104961448
[4-(2-ethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol
CID 79187593
[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4,5-dimethylphenyl]methanol
CID 104961498
[4-(2,5-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol
CID 79187737
4-(4-bromo-2-fluorophenyl)sulfonyl-2-(bromomethyl)-6-methylmorpholine
CID 102938147
[4-[3-(dimethylamino)piperidin-1-yl]sulfonyl-3-fluorophenyl]methanol
CID 79178793
[3-fluoro-4-(1,4-oxazepan-4-ylsulfonyl)phenyl]methanol
CID 79187528
[3-fluoro-4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol
CID 79187452
[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylmethyl]phenyl]methanol
CID 104961468
[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3-fluorophenyl]methanol
CID 79935876
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-fluorobenzoic acid
CID 9160496
[4-(2,3-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol
CID 79186814

Frequently Asked Questions

What is the IUPAC name of [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol?
The IUPAC name of [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol (CID 104961473) is [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol.
What is the SMILES notation for [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol?
The canonical SMILES for [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol is C[C@@H]1CN(S(=O)(=O)c2ccc(CO)cc2F)C[C@H](C)O1.
What is the InChIKey of [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol?
The InChIKey is FGTBZQFHVBLHIB-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H18FNO4S/c1-9-6-15(7-10(2)19-9)20(17,18)13-4-3-11(8-16)5-12(13)14/h3-5,9-10,16H,6-8H2,1-2H3/t9-,10+.
What are the key properties of [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol?
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol has a molecular weight of 303.36 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol is sourced from PubChem (CID 104961473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).