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

C15H19NO4S — CID 60823840

IUPAC3-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol
SMILESCCC1COCCN1S(=O)(=O)c1ccc(C#CCO)cc1
InChIInChI=1S/C15H19NO4S/c1-2-14-12-20-11-9-16(14)21(18,19)15-7-5-13(6-8-15)4-3-10-17/h5-8,14,17H,2,9-12H2,1H3
InChIKeyHUIXDFKJBASOOB-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.83
Rot. Bonds3

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

3-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol (PubChem CID 60823840) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol
PubChem CID60823840
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name3-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol
SMILESCCC1COCCN1S(=O)(=O)c1ccc(C#CCO)cc1
InChIInChI=1S/C15H19NO4S/c1-2-14-12-20-11-9-16(14)21(18,19)15-7-5-13(6-8-15)4-3-10-17/h5-8,14,17H,2,9-12H2,1H3
InChIKeyHUIXDFKJBASOOB-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-(2-ethylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 60845822
4-[4-(bromomethyl)phenyl]sulfonyl-3-ethylmorpholine
CID 65480190
2-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43612964
4-[4-(2-chloroethyl)phenyl]sulfonyl-3-ethylmorpholine
CID 43662640
3-[4-(2-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 60845292
2-bromo-5-(3-ethylmorpholin-4-yl)sulfonylbenzoic acid
CID 43612960
1-[3-(3-ethylmorpholin-4-yl)sulfonylphenyl]propan-1-ol
CID 60874201
3-[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 79180844
(3-ethylmorpholin-4-yl)-[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 62960406
3-[4-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]prop-2-yn-1-ol
CID 60844239
3-ethyl-4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)morpholine
CID 43613589
4-(5-bromothiophen-2-yl)sulfonyl-3-ethylmorpholine
CID 61392339

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol (CID 60823840) is 3-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol is CCC1COCCN1S(=O)(=O)c1ccc(C#CCO)cc1.
What is the InChIKey of 3-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol?
The InChIKey is HUIXDFKJBASOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-2-14-12-20-11-9-16(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-(3-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol?
3-[4-(3-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-(3-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol is sourced from PubChem (CID 60823840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).