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

C11H17NO5S4 — CID 66377401

IUPAC[4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methanol
SMILESCCS(=O)(=O)C1CSCCN1S(=O)(=O)c1csc(CO)c1
InChIInChI=1S/C11H17NO5S4/c1-2-20(14,15)11-8-18-4-3-12(11)21(16,17)10-5-9(6-13)19-7-10/h5,7,11,13H,2-4,6,8H2,1H3
InChIKeyIBEGIBANTGBGIS-UHFFFAOYSA-N
MW371.53 g/mol
LogP0.74
Rot. Bonds5

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

[4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methanol (PubChem CID 66377401) has the molecular formula C11H17NO5S4 and a molecular weight of 371.53 g/mol. Its IUPAC name is [4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methanol.

Molecular Properties

Compound Name[4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methanol
PubChem CID66377401
Molecular FormulaC11H17NO5S4
Molecular Weight371.53 g/mol
Exact Mass371.00
IUPAC Name[4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methanol
SMILESCCS(=O)(=O)C1CSCCN1S(=O)(=O)c1csc(CO)c1
InChIInChI=1S/C11H17NO5S4/c1-2-20(14,15)11-8-18-4-3-12(11)21(16,17)10-5-9(6-13)19-7-10/h5,7,11,13H,2-4,6,8H2,1H3
InChIKeyIBEGIBANTGBGIS-UHFFFAOYSA-N
XLogP0.74
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylphenol
CID 66376997
4-[[5-(chloromethyl)-1H-pyrrol-3-yl]sulfonyl]-3-ethylsulfonylthiomorpholine
CID 66376586
5-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpyridin-2-amine
CID 66383129
3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-ol
CID 66376812
3-ethylsulfonyl-4-propylsulfonylthiomorpholine
CID 66376427
2-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylacetic acid
CID 66377519
2-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol
CID 66375579
[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylphenyl]methanol
CID 66378089
[6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methanol
CID 80628626
[4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 83057460
4-(4-chlorobutylsulfonyl)-3-ethylsulfonylthiomorpholine
CID 66376976
5-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 66375956

Frequently Asked Questions

What is the IUPAC name of [4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methanol?
The IUPAC name of [4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methanol (CID 66377401) is [4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methanol.
What is the SMILES notation for [4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methanol?
The canonical SMILES for [4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methanol is CCS(=O)(=O)C1CSCCN1S(=O)(=O)c1csc(CO)c1.
What is the InChIKey of [4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methanol?
The InChIKey is IBEGIBANTGBGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S4/c1-2-20(14,15)11-8-18-4-3-12(11)21(16,17)10-5-9(6-13)19-7-10/h5,7,11,13H,2-4,6,8H2,1H3.
What are the key properties of [4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methanol?
[4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methanol has a molecular weight of 371.53 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methanol is sourced from PubChem (CID 66377401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).