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

C14H21NO5S — CID 114779082

IUPAC[4-(2-methoxyphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
SMILESCOc1ccccc1S(=O)(=O)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C14H21NO5S/c1-14(2)10-15(8-11(9-16)20-14)21(17,18)13-7-5-4-6-12(13)19-3/h4-7,11,16H,8-10H2,1-3H3
InChIKeyAYKCDBXOMKMKRC-UHFFFAOYSA-N
MW315.39 g/mol
LogP0.86
Rot. Bonds4

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

[4-(2-methoxyphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114779082) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114779082
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Name[4-(2-methoxyphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
SMILESCOc1ccccc1S(=O)(=O)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C14H21NO5S/c1-14(2)10-15(8-11(9-16)20-14)21(17,18)13-7-5-4-6-12(13)19-3/h4-7,11,16H,8-10H2,1-3H3
InChIKeyAYKCDBXOMKMKRC-UHFFFAOYSA-N
XLogP0.86
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934895
(6S)-4-(2-fluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 129345493
6-(chloromethyl)-4-(2-chlorophenyl)sulfonyl-2,2-dimethylmorpholine
CID 114781760
[4-(5-chloro-2-methylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114779155
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanone
CID 114778686
[6,6-dimethyl-4-(5-methylthiophen-2-yl)sulfonylmorpholin-2-yl]methanol
CID 114779103
[6,6-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanol
CID 114779120
[4-(5-bromo-2-methylthiophen-3-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114779094
6-(hydroxymethyl)-N-(2-methoxyphenyl)-2,2-dimethylmorpholine-4-carboxamide
CID 114779055
5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
CID 114776516
(2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776093
[4-[(3-hydrazinyl-2-pyridinyl)sulfonyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 103302124

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-(2-methoxyphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol (CID 114779082) is [4-(2-methoxyphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(2-methoxyphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(2-methoxyphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol is COc1ccccc1S(=O)(=O)N1CC(CO)OC(C)(C)C1.
What is the InChIKey of [4-(2-methoxyphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is AYKCDBXOMKMKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-14(2)10-15(8-11(9-16)20-14)21(17,18)13-7-5-4-6-12(13)19-3/h4-7,11,16H,8-10H2,1-3H3.
What are the key properties of [4-(2-methoxyphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol?
[4-(2-methoxyphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 315.39 g/mol, XLogP of 0.86, 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-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114779082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).