(2,2-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methanone

C15H19NO3S — CID 79696817

IUPAC(2,2-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methanone
SMILESCC1(C)CN(C(=O)c2csc(C#CCCO)c2)CCO1
InChIInChI=1S/C15H19NO3S/c1-15(2)11-16(6-8-19-15)14(18)12-9-13(20-10-12)5-3-4-7-17/h9-10,17H,4,6-8,11H2,1-2H3
InChIKeyKZAVWGSJYKZWLQ-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.73
Rot. Bonds2

About (2,2-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methanone

(2,2-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methanone (PubChem CID 79696817) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methanone
PubChem CID79696817
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name(2,2-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methanone
SMILESCC1(C)CN(C(=O)c2csc(C#CCCO)c2)CCO1
InChIInChI=1S/C15H19NO3S/c1-15(2)11-16(6-8-19-15)14(18)12-9-13(20-10-12)5-3-4-7-17/h9-10,17H,4,6-8,11H2,1-2H3
InChIKeyKZAVWGSJYKZWLQ-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)-[5-(4-hydroxybut-1-ynyl)thiophen-3-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

Related Compounds

(3,3-dimethylpiperidin-1-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methanone
CID 79695902
(2,2-dimethylmorpholin-4-yl)-[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone
CID 63798502
[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745170
(5-bromothiophen-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 35024932
4-[5-(4-hydroxybut-1-ynyl)thiophene-3-carbonyl]piperazine-2,6-dione
CID 79696108
4-[5-(4-hydroxybut-1-ynyl)thiophene-3-carbonyl]-1-methyl-1,4-diazepan-2-one
CID 102891752
[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102935049
[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 79696818
(2-ethylpiperidin-1-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methanone
CID 79696616
(3,5-diaminophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 61093702
5-(4-hydroxybut-1-ynyl)-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-3-carboxamide
CID 79692421
[5-(3-aminoprop-1-ynyl)thiophen-3-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 79695986

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methanone?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methanone (CID 79696817) is (2,2-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methanone.
What is the SMILES notation for (2,2-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methanone?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methanone is CC1(C)CN(C(=O)c2csc(C#CCCO)c2)CCO1.
What is the InChIKey of (2,2-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methanone?
The InChIKey is KZAVWGSJYKZWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-15(2)11-16(6-8-19-15)14(18)12-9-13(20-10-12)5-3-4-7-17/h9-10,17H,4,6-8,11H2,1-2H3.
What are the key properties of (2,2-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methanone?
(2,2-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-3-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)-[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methanone is sourced from PubChem (CID 79696817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).