(2,6-dimethylmorpholin-4-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone

C14H17NO3S — CID 61074722

IUPAC(2,6-dimethylmorpholin-4-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone
SMILESCC1CN(C(=O)c2ccc(C#CCO)s2)CC(C)O1
InChIInChI=1S/C14H17NO3S/c1-10-8-15(9-11(2)18-10)14(17)13-6-5-12(19-13)4-3-7-16/h5-6,10-11,16H,7-9H2,1-2H3
InChIKeyUYFVOKPWVMEMFA-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.34
Rot. Bonds1

About (2,6-dimethylmorpholin-4-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone

(2,6-dimethylmorpholin-4-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone (PubChem CID 61074722) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone
PubChem CID61074722
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone
SMILESCC1CN(C(=O)c2ccc(C#CCO)s2)CC(C)O1
InChIInChI=1S/C14H17NO3S/c1-10-8-15(9-11(2)18-10)14(17)13-6-5-12(19-13)4-3-7-16/h5-6,10-11,16H,7-9H2,1-2H3
InChIKeyUYFVOKPWVMEMFA-UHFFFAOYSA-N
XLogP1.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.34
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

(4-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone
CID 61422006
(2,6-dimethylmorpholin-4-yl)-(5-ethylthiophen-2-yl)methanone
CID 25237007
[3-(diethylamino)pyrrolidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone
CID 63175231
(5-chlorothiophen-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 27233889
(5-chlorothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 25237037
(2-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone
CID 61077088
[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102885713
(2,5-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone
CID 61075284
1-[5-(3-hydroxyprop-1-ynyl)thiophene-2-carbonyl]-1,4-diazepan-5-one
CID 63002741
1-[4-[5-(4-hydroxybut-1-ynyl)thiophene-2-carbonyl]piperazin-1-yl]ethanone
CID 61075447
(4-ethyl-3-methylpiperazin-1-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone
CID 63605293
1-[5-[(3S,4S)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]ethanone
CID 133113689

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone (CID 61074722) is (2,6-dimethylmorpholin-4-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone is CC1CN(C(=O)c2ccc(C#CCO)s2)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone?
The InChIKey is UYFVOKPWVMEMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-10-8-15(9-11(2)18-10)14(17)13-6-5-12(19-13)4-3-7-16/h5-6,10-11,16H,7-9H2,1-2H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone?
(2,6-dimethylmorpholin-4-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone has a molecular weight of 279.36 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone is sourced from PubChem (CID 61074722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).