3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-ol

C9H19NO5S3 — CID 66376812

IUPAC3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-ol
SMILESCCS(=O)(=O)C1CSCCN1S(=O)(=O)CCCO
InChIInChI=1S/C9H19NO5S3/c1-2-17(12,13)9-8-16-6-4-10(9)18(14,15)7-3-5-11/h9,11H,2-8H2,1H3
InChIKeyGOUZRIXUVBWRPJ-UHFFFAOYSA-N
MW317.45 g/mol
LogP-0.49
Rot. Bonds6

About 3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-ol

3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-ol (PubChem CID 66376812) has the molecular formula C9H19NO5S3 and a molecular weight of 317.45 g/mol. Its IUPAC name is 3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-ol.

Molecular Properties

Compound Name3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-ol
PubChem CID66376812
Molecular FormulaC9H19NO5S3
Molecular Weight317.45 g/mol
Exact Mass317.04
IUPAC Name3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-ol
SMILESCCS(=O)(=O)C1CSCCN1S(=O)(=O)CCCO
InChIInChI=1S/C9H19NO5S3/c1-2-17(12,13)9-8-16-6-4-10(9)18(14,15)7-3-5-11/h9,11H,2-8H2,1H3
InChIKeyGOUZRIXUVBWRPJ-UHFFFAOYSA-N
XLogP-0.49
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-ol?
The IUPAC name of 3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-ol (CID 66376812) is 3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-ol.
What is the SMILES notation for 3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-ol?
The canonical SMILES for 3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-ol is CCS(=O)(=O)C1CSCCN1S(=O)(=O)CCCO.
What is the InChIKey of 3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-ol?
The InChIKey is GOUZRIXUVBWRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5S3/c1-2-17(12,13)9-8-16-6-4-10(9)18(14,15)7-3-5-11/h9,11H,2-8H2,1H3.
What are the key properties of 3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-ol?
3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-ol has a molecular weight of 317.45 g/mol, XLogP of -0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-ol is sourced from PubChem (CID 66376812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).