[4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol

C14H21NO4S — CID 81219341

IUPAC[4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
SMILESCCc1ccc(S(=O)(=O)N2CC(CO)OCC2C)cc1
InChIInChI=1S/C14H21NO4S/c1-3-12-4-6-14(7-5-12)20(17,18)15-8-13(9-16)19-10-11(15)2/h4-7,11,13,16H,3,8-10H2,1-2H3
InChIKeyQAVRJZVCCJBRQP-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.02
Rot. Bonds4

About [4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol

[4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol (PubChem CID 81219341) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is [4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
PubChem CID81219341
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name[4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
SMILESCCc1ccc(S(=O)(=O)N2CC(CO)OCC2C)cc1
InChIInChI=1S/C14H21NO4S/c1-3-12-4-6-14(7-5-12)20(17,18)15-8-13(9-16)19-10-11(15)2/h4-7,11,13,16H,3,8-10H2,1-2H3
InChIKeyQAVRJZVCCJBRQP-UHFFFAOYSA-N
XLogP1.02
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81219261
[5-methyl-4-(1-methylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol
CID 81219581
4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine
CID 110644067
[4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934850
2-[4-(2,5-dimethylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43544549
2-(bromomethyl)-4-(4-fluorophenyl)sulfonyl-5-methylmorpholine
CID 81212012
[4-(3-amino-4,5-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81194847
[(2S)-5-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 126652448
[4-(5-chlorothiophen-2-yl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219101
2-benzyl-4-(4-ethoxyphenyl)sulfonyl-5-methylmorpholine
CID 110644106
(5-methyl-4-propan-2-ylsulfonylmorpholin-2-yl)methanol
CID 81219426
[4-(2,5-dichlorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81218776

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol (CID 81219341) is [4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol is CCc1ccc(S(=O)(=O)N2CC(CO)OCC2C)cc1.
What is the InChIKey of [4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
The InChIKey is QAVRJZVCCJBRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-3-12-4-6-14(7-5-12)20(17,18)15-8-13(9-16)19-10-11(15)2/h4-7,11,13,16H,3,8-10H2,1-2H3.
What are the key properties of [4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
[4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol has a molecular weight of 299.39 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81219341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).