1-(4-methylsulfonylphenyl)-2-morpholin-3-ylethanol

C13H19NO4S — CID 81465901

IUPAC1-(4-methylsulfonylphenyl)-2-morpholin-3-ylethanol
SMILESCS(=O)(=O)c1ccc(C(O)CC2COCCN2)cc1
InChIInChI=1S/C13H19NO4S/c1-19(16,17)12-4-2-10(3-5-12)13(15)8-11-9-18-7-6-14-11/h2-5,11,13-15H,6-9H2,1H3
InChIKeyNKBHEAVCXDGORW-UHFFFAOYSA-N
MW285.36 g/mol
LogP0.50
Rot. Bonds4

About 1-(4-methylsulfonylphenyl)-2-morpholin-3-ylethanol

1-(4-methylsulfonylphenyl)-2-morpholin-3-ylethanol (PubChem CID 81465901) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-2-morpholin-3-ylethanol.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-2-morpholin-3-ylethanol
PubChem CID81465901
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Name1-(4-methylsulfonylphenyl)-2-morpholin-3-ylethanol
SMILESCS(=O)(=O)c1ccc(C(O)CC2COCCN2)cc1
InChIInChI=1S/C13H19NO4S/c1-19(16,17)12-4-2-10(3-5-12)13(15)8-11-9-18-7-6-14-11/h2-5,11,13-15H,6-9H2,1H3
InChIKeyNKBHEAVCXDGORW-UHFFFAOYSA-N
XLogP0.50
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)-2-morpholin-3-ylethanol
CID 81466682
2-(4-methylpiperidin-2-yl)-1-(4-methylsulfonylphenyl)ethanol
CID 116685768
1-(3,4-dimethoxyphenyl)-2-morpholin-3-ylethanol
CID 81466199
(3S)-3-(4-methylsulfonylphenyl)morpholine;hydrochloride
CID 171192994
1-(2-methoxyphenyl)-2-morpholin-3-ylethanol
CID 81466986
1-(4-methylsulfonylphenyl)-2-(oxan-3-ylmethylamino)ethanol
CID 61019335
N-(2-hydroxy-5-methylsulfonylphenyl)-2-morpholin-3-ylacetamide
CID 81422921
2-morpholin-3-yl-1-(4-propan-2-ylphenyl)ethanamine
CID 116941456
3-(benzenesulfonylmethyl)morpholine
CID 117037196
1-(2,4-difluorophenyl)-2-morpholin-3-ylethanol
CID 81467090
2-bromo-1-(4-methylsulfonylphenyl)ethanol
CID 13337385
1-(4-ethylphenyl)-2-morpholin-3-ylethanamine
CID 116941455

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-2-morpholin-3-ylethanol?
The IUPAC name of 1-(4-methylsulfonylphenyl)-2-morpholin-3-ylethanol (CID 81465901) is 1-(4-methylsulfonylphenyl)-2-morpholin-3-ylethanol.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-2-morpholin-3-ylethanol?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-2-morpholin-3-ylethanol is CS(=O)(=O)c1ccc(C(O)CC2COCCN2)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-2-morpholin-3-ylethanol?
The InChIKey is NKBHEAVCXDGORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-19(16,17)12-4-2-10(3-5-12)13(15)8-11-9-18-7-6-14-11/h2-5,11,13-15H,6-9H2,1H3.
What are the key properties of 1-(4-methylsulfonylphenyl)-2-morpholin-3-ylethanol?
1-(4-methylsulfonylphenyl)-2-morpholin-3-ylethanol has a molecular weight of 285.36 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-2-morpholin-3-ylethanol is sourced from PubChem (CID 81465901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).