[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylmethyl]phenyl]methanol

C14H21NO4S — CID 104961468

IUPAC[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylmethyl]phenyl]methanol
SMILESC[C@@H]1CN(S(=O)(=O)Cc2ccc(CO)cc2)C[C@H](C)O1
InChIInChI=1S/C14H21NO4S/c1-11-7-15(8-12(2)19-11)20(17,18)10-14-5-3-13(9-16)4-6-14/h3-6,11-12,16H,7-10H2,1-2H3/t11-,12+
InChIKeyJPEYMACOOHMVTQ-TXEJJXNPSA-N
MW299.39 g/mol
LogP1.12
Rot. Bonds4

About [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylmethyl]phenyl]methanol

[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylmethyl]phenyl]methanol (PubChem CID 104961468) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylmethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylmethyl]phenyl]methanol
PubChem CID104961468
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylmethyl]phenyl]methanol
SMILESC[C@@H]1CN(S(=O)(=O)Cc2ccc(CO)cc2)C[C@H](C)O1
InChIInChI=1S/C14H21NO4S/c1-11-7-15(8-12(2)19-11)20(17,18)10-14-5-3-13(9-16)4-6-14/h3-6,11-12,16H,7-10H2,1-2H3/t11-,12+
InChIKeyJPEYMACOOHMVTQ-TXEJJXNPSA-N
XLogP1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2,6-dimethylmorpholin-4-yl)sulfonylmethyl]phenyl]methanamine
CID 43105697
3-[(2,6-dimethylmorpholin-4-yl)sulfonylmethyl]benzoic acid
CID 43362418
2-methyl-4-[(4-methylphenyl)methylsulfonyl]-6-phenylmorpholine
CID 110369031
[4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanol
CID 104961448
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol
CID 104961473
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol
CID 93023320
[4-(2,6-dimethylmorpholin-4-yl)phenyl]methanol
CID 43121035
(4-ethylsulfonyl-6-methylmorpholin-2-yl)methanol
CID 102934875
4-[(2-methyl-1,4-oxazepan-4-yl)sulfonylmethyl]benzoic acid
CID 62988331
[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4,5-dimethylphenyl]methanol
CID 104961498
1-[4-[(3,4-dimethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]-N-methylmethanamine
CID 79187487
[5-[[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]methyl]furan-2-yl]methanol
CID 56807009

Frequently Asked Questions

What is the IUPAC name of [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylmethyl]phenyl]methanol?
The IUPAC name of [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylmethyl]phenyl]methanol (CID 104961468) is [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylmethyl]phenyl]methanol.
What is the SMILES notation for [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylmethyl]phenyl]methanol?
The canonical SMILES for [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylmethyl]phenyl]methanol is C[C@@H]1CN(S(=O)(=O)Cc2ccc(CO)cc2)C[C@H](C)O1.
What is the InChIKey of [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylmethyl]phenyl]methanol?
The InChIKey is JPEYMACOOHMVTQ-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-11-7-15(8-12(2)19-11)20(17,18)10-14-5-3-13(9-16)4-6-14/h3-6,11-12,16H,7-10H2,1-2H3/t11-,12+.
What are the key properties of [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylmethyl]phenyl]methanol?
[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylmethyl]phenyl]methanol has a molecular weight of 299.39 g/mol, XLogP of 1.12, 4 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]sulfonylmethyl]phenyl]methanol is sourced from PubChem (CID 104961468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).