3-[4-(2-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol

C15H19NO4S — CID 60845292

IUPAC3-[4-(2-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol
SMILESCCC1CN(S(=O)(=O)c2ccc(C#CCO)cc2)CCO1
InChIInChI=1S/C15H19NO4S/c1-2-14-12-16(9-11-20-14)21(18,19)15-7-5-13(6-8-15)4-3-10-17/h5-8,14,17H,2,9-12H2,1H3
InChIKeyVNKIZHDXXNOTDE-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.83
Rot. Bonds3

About 3-[4-(2-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol

3-[4-(2-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol (PubChem CID 60845292) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-[4-(2-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[4-(2-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol
PubChem CID60845292
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name3-[4-(2-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol
SMILESCCC1CN(S(=O)(=O)c2ccc(C#CCO)cc2)CCO1
InChIInChI=1S/C15H19NO4S/c1-2-14-12-16(9-11-20-14)21(18,19)15-7-5-13(6-8-15)4-3-10-17/h5-8,14,17H,2,9-12H2,1H3
InChIKeyVNKIZHDXXNOTDE-UHFFFAOYSA-N
XLogP0.83
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 79180844
3-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]prop-2-yn-1-ol
CID 115966566
3-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 60823840
3-[4-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]prop-2-yn-1-ol
CID 60844239
3-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 60845822
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-ethylmorpholine
CID 42947765
4-(4-bromo-3-fluorophenyl)sulfonyl-2-ethylmorpholine
CID 113242547
4-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-N-methylbenzamide
CID 81209377
3-(2-ethylmorpholin-4-yl)sulfonylaniline
CID 43562350
5-(2-ethylmorpholin-4-yl)sulfonylpyridine-2-carbothioamide
CID 114614163
5-(2-ethylmorpholin-4-yl)sulfonylpyrimidin-2-amine
CID 62147516
4-(2-chloropyrimidin-5-yl)sulfonyl-2-ethylmorpholine
CID 43562747

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[4-(2-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol (CID 60845292) is 3-[4-(2-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[4-(2-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[4-(2-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol is CCC1CN(S(=O)(=O)c2ccc(C#CCO)cc2)CCO1.
What is the InChIKey of 3-[4-(2-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol?
The InChIKey is VNKIZHDXXNOTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-2-14-12-16(9-11-20-14)21(18,19)15-7-5-13(6-8-15)4-3-10-17/h5-8,14,17H,2,9-12H2,1H3.
What are the key properties of 3-[4-(2-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol?
3-[4-(2-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol has a molecular weight of 309.39 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol is sourced from PubChem (CID 60845292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).