[4-(4-ethoxyphenyl)sulfonylthiomorpholin-3-yl]methanol

C13H19NO4S2 — CID 75443923

IUPAC[4-(4-ethoxyphenyl)sulfonylthiomorpholin-3-yl]methanol
SMILESCCOc1ccc(S(=O)(=O)N2CCSCC2CO)cc1
InChIInChI=1S/C13H19NO4S2/c1-2-18-12-3-5-13(6-4-12)20(16,17)14-7-8-19-10-11(14)9-15/h3-6,11,15H,2,7-10H2,1H3
InChIKeyOEBDJZDYLOJSLQ-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.18
Rot. Bonds5

About [4-(4-ethoxyphenyl)sulfonylthiomorpholin-3-yl]methanol

[4-(4-ethoxyphenyl)sulfonylthiomorpholin-3-yl]methanol (PubChem CID 75443923) has the molecular formula C13H19NO4S2 and a molecular weight of 317.43 g/mol. Its IUPAC name is [4-(4-ethoxyphenyl)sulfonylthiomorpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-(4-ethoxyphenyl)sulfonylthiomorpholin-3-yl]methanol
PubChem CID75443923
Molecular FormulaC13H19NO4S2
Molecular Weight317.43 g/mol
Exact Mass317.08
IUPAC Name[4-(4-ethoxyphenyl)sulfonylthiomorpholin-3-yl]methanol
SMILESCCOc1ccc(S(=O)(=O)N2CCSCC2CO)cc1
InChIInChI=1S/C13H19NO4S2/c1-2-18-12-3-5-13(6-4-12)20(16,17)14-7-8-19-10-11(14)9-15/h3-6,11,15H,2,7-10H2,1H3
InChIKeyOEBDJZDYLOJSLQ-UHFFFAOYSA-N
XLogP1.18
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(4-ethoxyphenyl)sulfonylthiomorpholin-3-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

[(2S)-1-(4-propoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 79028252
(2R)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1354636
(2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine
CID 847002
1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 106672603
4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylphenol
CID 66376997
methyl 1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 43409870
[1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 61408929
[(3S,4S)-1-(4-ethoxyphenyl)sulfonyl-4-methylpyrrolidin-3-yl]methanol
CID 129003855
4-ethoxybenzenesulfonic acid
CID 7013020
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 66291356
2-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenoxy]acetic acid
CID 61408834
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethoxyphenyl)sulfonylthiomorpholin-3-yl]methanol?
The IUPAC name of [4-(4-ethoxyphenyl)sulfonylthiomorpholin-3-yl]methanol (CID 75443923) is [4-(4-ethoxyphenyl)sulfonylthiomorpholin-3-yl]methanol.
What is the SMILES notation for [4-(4-ethoxyphenyl)sulfonylthiomorpholin-3-yl]methanol?
The canonical SMILES for [4-(4-ethoxyphenyl)sulfonylthiomorpholin-3-yl]methanol is CCOc1ccc(S(=O)(=O)N2CCSCC2CO)cc1.
What is the InChIKey of [4-(4-ethoxyphenyl)sulfonylthiomorpholin-3-yl]methanol?
The InChIKey is OEBDJZDYLOJSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S2/c1-2-18-12-3-5-13(6-4-12)20(16,17)14-7-8-19-10-11(14)9-15/h3-6,11,15H,2,7-10H2,1H3.
What are the key properties of [4-(4-ethoxyphenyl)sulfonylthiomorpholin-3-yl]methanol?
[4-(4-ethoxyphenyl)sulfonylthiomorpholin-3-yl]methanol has a molecular weight of 317.43 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethoxyphenyl)sulfonylthiomorpholin-3-yl]methanol is sourced from PubChem (CID 75443923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).