[6-methyl-4-(2-methylsulfonylphenyl)morpholin-2-yl]methanol

C13H19NO4S — CID 102935217

IUPAC[6-methyl-4-(2-methylsulfonylphenyl)morpholin-2-yl]methanol
SMILESCC1CN(c2ccccc2S(C)(=O)=O)CC(CO)O1
InChIInChI=1S/C13H19NO4S/c1-10-7-14(8-11(9-15)18-10)12-5-3-4-6-13(12)19(2,16)17/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyCVFNBNKQMUULJP-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.68
Rot. Bonds3

About [6-methyl-4-(2-methylsulfonylphenyl)morpholin-2-yl]methanol

[6-methyl-4-(2-methylsulfonylphenyl)morpholin-2-yl]methanol (PubChem CID 102935217) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is [6-methyl-4-(2-methylsulfonylphenyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[6-methyl-4-(2-methylsulfonylphenyl)morpholin-2-yl]methanol
PubChem CID102935217
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name[6-methyl-4-(2-methylsulfonylphenyl)morpholin-2-yl]methanol
SMILESCC1CN(c2ccccc2S(C)(=O)=O)CC(CO)O1
InChIInChI=1S/C13H19NO4S/c1-10-7-14(8-11(9-15)18-10)12-5-3-4-6-13(12)19(2,16)17/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyCVFNBNKQMUULJP-UHFFFAOYSA-N
XLogP0.68
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide
CID 102935173
[4-(2-amino-4-methylsulfonylphenyl)-6-methylmorpholin-2-yl]methanol
CID 102931892
2-(chloromethyl)-4-[2-(difluoromethylsulfonyl)phenyl]-6-methylmorpholine
CID 102937034
5-amino-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenesulfonamide
CID 102931949
[4-(2-amino-3-pyridinyl)-6-methylmorpholin-2-yl]methanol
CID 102932034
2-[4-(2-methylsulfonylphenyl)morpholin-2-yl]acetic acid
CID 66435977
[4-(2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934895
4-[2,4-bis(methylsulfonyl)phenyl]-2,6-dimethylmorpholine
CID 42926998
[4-(2-hydrazinylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102933332
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide
CID 102935175
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
CID 102935310
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-methylbenzoic acid
CID 102933176

Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(2-methylsulfonylphenyl)morpholin-2-yl]methanol?
The IUPAC name of [6-methyl-4-(2-methylsulfonylphenyl)morpholin-2-yl]methanol (CID 102935217) is [6-methyl-4-(2-methylsulfonylphenyl)morpholin-2-yl]methanol.
What is the SMILES notation for [6-methyl-4-(2-methylsulfonylphenyl)morpholin-2-yl]methanol?
The canonical SMILES for [6-methyl-4-(2-methylsulfonylphenyl)morpholin-2-yl]methanol is CC1CN(c2ccccc2S(C)(=O)=O)CC(CO)O1.
What is the InChIKey of [6-methyl-4-(2-methylsulfonylphenyl)morpholin-2-yl]methanol?
The InChIKey is CVFNBNKQMUULJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-10-7-14(8-11(9-15)18-10)12-5-3-4-6-13(12)19(2,16)17/h3-6,10-11,15H,7-9H2,1-2H3.
What are the key properties of [6-methyl-4-(2-methylsulfonylphenyl)morpholin-2-yl]methanol?
[6-methyl-4-(2-methylsulfonylphenyl)morpholin-2-yl]methanol has a molecular weight of 285.37 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(2-methylsulfonylphenyl)morpholin-2-yl]methanol is sourced from PubChem (CID 102935217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).