[4-(2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol

C13H19NO5S — CID 102934895

IUPAC[4-(2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
SMILESCOc1ccccc1S(=O)(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C13H19NO5S/c1-10-7-14(8-11(9-15)19-10)20(16,17)13-6-4-3-5-12(13)18-2/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyGQZZARXTVIUVED-UHFFFAOYSA-N
MW301.36 g/mol
LogP0.47
Rot. Bonds4

About [4-(2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol

[4-(2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol (PubChem CID 102934895) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
PubChem CID102934895
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name[4-(2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
SMILESCOc1ccccc1S(=O)(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C13H19NO5S/c1-10-7-14(8-11(9-15)19-10)20(16,17)13-6-4-3-5-12(13)18-2/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyGQZZARXTVIUVED-UHFFFAOYSA-N
XLogP0.47
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-amino-2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931832
[4-(2-hydrazinylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102933332
[4-(2-methoxyphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114779082
[4-(2-amino-4,5-dimethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931863
[4-(2,6-difluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934845
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-1H-pyridin-4-one
CID 102934020
2-benzyl-6-methyl-4-(2-methylphenyl)sulfonylmorpholine
CID 110644243
[4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934850
[4-(2-amino-5-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931866
[4-(4-amino-2-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931874
[4-(3-aminophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931873
4-(2,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 19682685

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol (CID 102934895) is [4-(2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol is COc1ccccc1S(=O)(=O)N1CC(C)OC(CO)C1.
What is the InChIKey of [4-(2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The InChIKey is GQZZARXTVIUVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-10-7-14(8-11(9-15)19-10)20(16,17)13-6-4-3-5-12(13)18-2/h3-6,10-11,15H,7-9H2,1-2H3.
What are the key properties of [4-(2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
[4-(2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol has a molecular weight of 301.36 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102934895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).