(2,2-dimethylmorpholin-4-yl)-[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone

C15H19NO3S — CID 63798502

IUPAC(2,2-dimethylmorpholin-4-yl)-[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone
SMILESCC1(C)CN(C(=O)c2sccc2C#CCCO)CCO1
InChIInChI=1S/C15H19NO3S/c1-15(2)11-16(7-9-19-15)14(18)13-12(6-10-20-13)5-3-4-8-17/h6,10,17H,4,7-9,11H2,1-2H3
InChIKeyXUTPIZNBTOHMSJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.73
Rot. Bonds2

About (2,2-dimethylmorpholin-4-yl)-[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone

(2,2-dimethylmorpholin-4-yl)-[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone (PubChem CID 63798502) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone
PubChem CID63798502
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name(2,2-dimethylmorpholin-4-yl)-[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone
SMILESCC1(C)CN(C(=O)c2sccc2C#CCCO)CCO1
InChIInChI=1S/C15H19NO3S/c1-15(2)11-16(7-9-19-15)14(18)13-12(6-10-20-13)5-3-4-8-17/h6,10,17H,4,7-9,11H2,1-2H3
InChIKeyXUTPIZNBTOHMSJ-UHFFFAOYSA-N
XLogP1.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2,2-dimethylmorpholin-4-yl)-[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone (CID 63798502) is (2,2-dimethylmorpholin-4-yl)-[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone.
What is the SMILES notation for (2,2-dimethylmorpholin-4-yl)-[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone is CC1(C)CN(C(=O)c2sccc2C#CCCO)CCO1.
What is the InChIKey of (2,2-dimethylmorpholin-4-yl)-[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone?
The InChIKey is XUTPIZNBTOHMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-15(2)11-16(7-9-19-15)14(18)13-12(6-10-20-13)5-3-4-8-17/h6,10,17H,4,7-9,11H2,1-2H3.
What are the key properties of (2,2-dimethylmorpholin-4-yl)-[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone?
(2,2-dimethylmorpholin-4-yl)-[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone has a molecular weight of 293.39 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylmorpholin-4-yl)-[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone is sourced from PubChem (CID 63798502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).