[4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol

C14H21NO4S — CID 102934850

IUPAC[4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
SMILESCCc1ccc(S(=O)(=O)N2CC(C)OC(CO)C2)cc1
InChIInChI=1S/C14H21NO4S/c1-3-12-4-6-14(7-5-12)20(17,18)15-8-11(2)19-13(9-15)10-16/h4-7,11,13,16H,3,8-10H2,1-2H3
InChIKeyAFQWZJLBANNYBH-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.02
Rot. Bonds4

About [4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol

[4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol (PubChem CID 102934850) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is [4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
PubChem CID102934850
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name[4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
SMILESCCc1ccc(S(=O)(=O)N2CC(C)OC(CO)C2)cc1
InChIInChI=1S/C14H21NO4S/c1-3-12-4-6-14(7-5-12)20(17,18)15-8-11(2)19-13(9-15)10-16/h4-7,11,13,16H,3,8-10H2,1-2H3
InChIKeyAFQWZJLBANNYBH-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

Analyze [4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-4-(4-ethylphenyl)sulfonyl-6-methylmorpholine
CID 110644206
[4-(3-amino-4-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931885
[4-(4-amino-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931883
[4-(3-aminophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931873
(4-ethylsulfonyl-6-methylmorpholin-2-yl)methanol
CID 102934875
4-[4-(bromomethyl)phenyl]sulfonyl-2,6-dimethylmorpholine
CID 65482577
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonylbenzoic acid
CID 102932309
[4-(benzenesulfonyl)-6-(hydroxymethyl)morpholin-2-yl]methanol
CID 18540374
[4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219341
[4-(2,6-difluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934845
2,6-dimethyl-4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine
CID 17375832
1-(4-ethylphenyl)sulfonyl-3,5-dimethylpiperazine;hydrochloride
CID 119980583

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol (CID 102934850) is [4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol is CCc1ccc(S(=O)(=O)N2CC(C)OC(CO)C2)cc1.
What is the InChIKey of [4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The InChIKey is AFQWZJLBANNYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-3-12-4-6-14(7-5-12)20(17,18)15-8-11(2)19-13(9-15)10-16/h4-7,11,13,16H,3,8-10H2,1-2H3.
What are the key properties of [4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
[4-(4-ethylphenyl)sulfonyl-6-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-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102934850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).