4-morpholin-4-yl-1-thiophen-2-ylbut-2-yn-1-ol

C12H15NO2S — CID 2899003

IUPAC4-morpholin-4-yl-1-thiophen-2-ylbut-2-yn-1-ol
SMILESOC(C#CCN1CCOCC1)c1cccs1
InChIInChI=1S/C12H15NO2S/c14-11(12-4-2-10-16-12)3-1-5-13-6-8-15-9-7-13/h2,4,10-11,14H,5-9H2
InChIKeyQLCHVUPCWCCRBV-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.12
Rot. Bonds2

About 4-morpholin-4-yl-1-thiophen-2-ylbut-2-yn-1-ol

4-morpholin-4-yl-1-thiophen-2-ylbut-2-yn-1-ol (PubChem CID 2899003) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-morpholin-4-yl-1-thiophen-2-ylbut-2-yn-1-ol.

Molecular Properties

Compound Name4-morpholin-4-yl-1-thiophen-2-ylbut-2-yn-1-ol
PubChem CID2899003
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name4-morpholin-4-yl-1-thiophen-2-ylbut-2-yn-1-ol
SMILESOC(C#CCN1CCOCC1)c1cccs1
InChIInChI=1S/C12H15NO2S/c14-11(12-4-2-10-16-12)3-1-5-13-6-8-15-9-7-13/h2,4,10-11,14H,5-9H2
InChIKeyQLCHVUPCWCCRBV-UHFFFAOYSA-N
XLogP1.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-1-thiophen-2-ylbut-2-yn-1-ol?
The IUPAC name of 4-morpholin-4-yl-1-thiophen-2-ylbut-2-yn-1-ol (CID 2899003) is 4-morpholin-4-yl-1-thiophen-2-ylbut-2-yn-1-ol.
What is the SMILES notation for 4-morpholin-4-yl-1-thiophen-2-ylbut-2-yn-1-ol?
The canonical SMILES for 4-morpholin-4-yl-1-thiophen-2-ylbut-2-yn-1-ol is OC(C#CCN1CCOCC1)c1cccs1.
What is the InChIKey of 4-morpholin-4-yl-1-thiophen-2-ylbut-2-yn-1-ol?
The InChIKey is QLCHVUPCWCCRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c14-11(12-4-2-10-16-12)3-1-5-13-6-8-15-9-7-13/h2,4,10-11,14H,5-9H2.
What are the key properties of 4-morpholin-4-yl-1-thiophen-2-ylbut-2-yn-1-ol?
4-morpholin-4-yl-1-thiophen-2-ylbut-2-yn-1-ol has a molecular weight of 237.32 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-1-thiophen-2-ylbut-2-yn-1-ol is sourced from PubChem (CID 2899003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).