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

C15H19NO3S — CID 61075284

IUPAC(2,5-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone
SMILESCC1CN(C(=O)c2ccc(C#CCCO)s2)C(C)CO1
InChIInChI=1S/C15H19NO3S/c1-11-10-19-12(2)9-16(11)15(18)14-7-6-13(20-14)5-3-4-8-17/h6-7,11-12,17H,4,8-10H2,1-2H3
InChIKeyDZALLUNJXCCSAC-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.73
Rot. Bonds2

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

(2,5-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone (PubChem CID 61075284) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is (2,5-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone
PubChem CID61075284
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name(2,5-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone
SMILESCC1CN(C(=O)c2ccc(C#CCCO)s2)C(C)CO1
InChIInChI=1S/C15H19NO3S/c1-11-10-19-12(2)9-16(11)15(18)14-7-6-13(20-14)5-3-4-8-17/h6-7,11-12,17H,4,8-10H2,1-2H3
InChIKeyDZALLUNJXCCSAC-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'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone?
The IUPAC name of (2,5-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone (CID 61075284) is (2,5-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone.
What is the SMILES notation for (2,5-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone?
The canonical SMILES for (2,5-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone is CC1CN(C(=O)c2ccc(C#CCCO)s2)C(C)CO1.
What is the InChIKey of (2,5-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone?
The InChIKey is DZALLUNJXCCSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-11-10-19-12(2)9-16(11)15(18)14-7-6-13(20-14)5-3-4-8-17/h6-7,11-12,17H,4,8-10H2,1-2H3.
What are the key properties of (2,5-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone?
(2,5-dimethylmorpholin-4-yl)-[5-(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 (2,5-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone is sourced from PubChem (CID 61075284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).