[4-(4-methoxy-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanol

C14H21NO5S — CID 81209194

IUPAC[4-(4-methoxy-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanol
SMILESCOc1cc(C)c(S(=O)(=O)N2CCOC(CO)C2)c(C)c1
InChIInChI=1S/C14H21NO5S/c1-10-6-12(19-3)7-11(2)14(10)21(17,18)15-4-5-20-13(8-15)9-16/h6-7,13,16H,4-5,8-9H2,1-3H3
InChIKeyPXJNVQZEHKKCMY-UHFFFAOYSA-N
MW315.39 g/mol
LogP0.69
Rot. Bonds4

About [4-(4-methoxy-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanol

[4-(4-methoxy-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanol (PubChem CID 81209194) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is [4-(4-methoxy-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-methoxy-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanol
PubChem CID81209194
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Name[4-(4-methoxy-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanol
SMILESCOc1cc(C)c(S(=O)(=O)N2CCOC(CO)C2)c(C)c1
InChIInChI=1S/C14H21NO5S/c1-10-6-12(19-3)7-11(2)14(10)21(17,18)15-4-5-20-13(8-15)9-16/h6-7,13,16H,4-5,8-9H2,1-3H3
InChIKeyPXJNVQZEHKKCMY-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-ol
CID 55130191
1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane
CID 47173260
[4-(4-amino-2,6-difluorophenyl)sulfonylmorpholin-2-yl]methanol
CID 81205843
[4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81205844
[4-(3-amino-5-fluoro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanol
CID 114625967
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 47173276
[4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanamine;hydrochloride
CID 120712882
[4-(5-amino-4-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 114625968
[4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanol
CID 81208839
[4-(5-amino-2-chloro-4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81206350
(3,5-dimethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208576
[4-(4-methyl-3-nitrophenyl)sulfonylmorpholin-2-yl]methanol
CID 81208390

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxy-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanol?
The IUPAC name of [4-(4-methoxy-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanol (CID 81209194) is [4-(4-methoxy-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(4-methoxy-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(4-methoxy-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanol is COc1cc(C)c(S(=O)(=O)N2CCOC(CO)C2)c(C)c1.
What is the InChIKey of [4-(4-methoxy-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanol?
The InChIKey is PXJNVQZEHKKCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-10-6-12(19-3)7-11(2)14(10)21(17,18)15-4-5-20-13(8-15)9-16/h6-7,13,16H,4-5,8-9H2,1-3H3.
What are the key properties of [4-(4-methoxy-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanol?
[4-(4-methoxy-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanol has a molecular weight of 315.39 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxy-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanol is sourced from PubChem (CID 81209194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).