[6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methanol

C13H20N2O3S2 — CID 80628626

IUPAC[6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methanol
SMILESCCS(=O)(=O)C1CSCCN1c1ncc(CO)cc1C
InChIInChI=1S/C13H20N2O3S2/c1-3-20(17,18)12-9-19-5-4-15(12)13-10(2)6-11(8-16)7-14-13/h6-7,12,16H,3-5,8-9H2,1-2H3
InChIKeyUPVSWSRUEZUEKU-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.20
Rot. Bonds4

About [6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methanol

[6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methanol (PubChem CID 80628626) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is [6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methanol
PubChem CID80628626
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC Name[6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methanol
SMILESCCS(=O)(=O)C1CSCCN1c1ncc(CO)cc1C
InChIInChI=1S/C13H20N2O3S2/c1-3-20(17,18)12-9-19-5-4-15(12)13-10(2)6-11(8-16)7-14-13/h6-7,12,16H,3-5,8-9H2,1-2H3
InChIKeyUPVSWSRUEZUEKU-UHFFFAOYSA-N
XLogP1.20
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]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

[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylphenyl]methanol
CID 66378089
5-bromo-2-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-3-carboxylic acid
CID 66377186
[2-(3-ethylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanol
CID 66376741
6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methylpyrimidin-4-amine
CID 80851039
3-ethylsulfonyl-4-(5-iodopyrimidin-4-yl)thiomorpholine
CID 66376036
4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-3-ethylsulfonylthiomorpholine
CID 66377521
4-[4-(bromomethyl)-2-methylphenyl]-3-ethylsulfonylthiomorpholine
CID 107084326
4-(5-bromo-2-pyridinyl)-3-ethylsulfonylthiomorpholine
CID 66375651
4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-3-methylthiomorpholine
CID 107083852
2-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylphenyl]ethanamine
CID 66377941
N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]ethanamine
CID 66377729
[6-(2-ethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methanol
CID 80631427

Frequently Asked Questions

What is the IUPAC name of [6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methanol?
The IUPAC name of [6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methanol (CID 80628626) is [6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methanol?
The canonical SMILES for [6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methanol is CCS(=O)(=O)C1CSCCN1c1ncc(CO)cc1C.
What is the InChIKey of [6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methanol?
The InChIKey is UPVSWSRUEZUEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-3-20(17,18)12-9-19-5-4-15(12)13-10(2)6-11(8-16)7-14-13/h6-7,12,16H,3-5,8-9H2,1-2H3.
What are the key properties of [6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methanol?
[6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methanol has a molecular weight of 316.45 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 80628626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).