[2-(3-ethylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanol

C12H18N2O3S2 — CID 66376741

IUPAC[2-(3-ethylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanol
SMILESCCS(=O)(=O)C1CSCCN1c1ncccc1CO
InChIInChI=1S/C12H18N2O3S2/c1-2-19(16,17)11-9-18-7-6-14(11)12-10(8-15)4-3-5-13-12/h3-5,11,15H,2,6-9H2,1H3
InChIKeyOUPGSVYVKPMZOD-UHFFFAOYSA-N
MW302.42 g/mol
LogP0.89
Rot. Bonds4

About [2-(3-ethylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanol

[2-(3-ethylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanol (PubChem CID 66376741) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [2-(3-ethylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(3-ethylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanol
PubChem CID66376741
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC Name[2-(3-ethylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanol
SMILESCCS(=O)(=O)C1CSCCN1c1ncccc1CO
InChIInChI=1S/C12H18N2O3S2/c1-2-19(16,17)11-9-18-7-6-14(11)12-10(8-15)4-3-5-13-12/h3-5,11,15H,2,6-9H2,1H3
InChIKeyOUPGSVYVKPMZOD-UHFFFAOYSA-N
XLogP0.89
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methanol
CID 80628626
4-(5-bromo-2-pyridinyl)-3-ethylsulfonylthiomorpholine
CID 66375651
2-(3-ethylsulfonylthiomorpholin-4-yl)benzoic acid
CID 66377379
3-ethylsulfonyl-4-(5-iodopyrimidin-4-yl)thiomorpholine
CID 66376036
[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylphenyl]methanol
CID 66378089
5-bromo-2-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-3-carboxylic acid
CID 66377186
N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]ethanamine
CID 66377729
2-(3-ethylsulfonylthiomorpholin-4-yl)aniline
CID 66383708
6-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-3-carbonitrile
CID 66377758
1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-2-pyridinyl]propan-1-ol
CID 115940486
[2-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanol
CID 61254159
4-(3,6-dichloro-1,2,4-triazin-5-yl)-3-ethylsulfonylthiomorpholine
CID 81035581

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanol?
The IUPAC name of [2-(3-ethylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanol (CID 66376741) is [2-(3-ethylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-(3-ethylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanol?
The canonical SMILES for [2-(3-ethylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanol is CCS(=O)(=O)C1CSCCN1c1ncccc1CO.
What is the InChIKey of [2-(3-ethylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanol?
The InChIKey is OUPGSVYVKPMZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-2-19(16,17)11-9-18-7-6-14(11)12-10(8-15)4-3-5-13-12/h3-5,11,15H,2,6-9H2,1H3.
What are the key properties of [2-(3-ethylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanol?
[2-(3-ethylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanol has a molecular weight of 302.42 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 66376741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).