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

C14H18N2O2S — CID 79684258

IUPAC[5-(3-aminoprop-1-ynyl)thiophen-3-yl]-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2csc(C#CCN)c2)C(C)CO1
InChIInChI=1S/C14H18N2O2S/c1-10-8-18-11(2)7-16(10)14(17)12-6-13(19-9-12)4-3-5-15/h6,9-11H,5,7-8,15H2,1-2H3
InChIKeyQMFRCKKYGFYYRD-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.31
Rot. Bonds1

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

[5-(3-aminoprop-1-ynyl)thiophen-3-yl]-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 79684258) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is [5-(3-aminoprop-1-ynyl)thiophen-3-yl]-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-(3-aminoprop-1-ynyl)thiophen-3-yl]-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID79684258
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name[5-(3-aminoprop-1-ynyl)thiophen-3-yl]-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2csc(C#CCN)c2)C(C)CO1
InChIInChI=1S/C14H18N2O2S/c1-10-8-18-11(2)7-16(10)14(17)12-6-13(19-9-12)4-3-5-15/h6,9-11H,5,7-8,15H2,1-2H3
InChIKeyQMFRCKKYGFYYRD-UHFFFAOYSA-N
XLogP1.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.31
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

[5-(3-aminoprop-1-ynyl)thiophen-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 79683949
[5-(3-aminoprop-1-ynyl)thiophen-3-yl]-(3-methylthiomorpholin-4-yl)methanone
CID 79684118
(5-bromothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43424620
[5-(3-aminoprop-1-ynyl)thiophen-3-yl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102935056
[5-(3-aminoprop-1-ynyl)thiophen-3-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102787091
[2-(3-aminoprop-1-ynyl)-5-fluorophenyl]-(2,5-dimethylmorpholin-4-yl)methanone
CID 60822361
4-[5-(3-aminoprop-1-ynyl)thiophene-3-carbonyl]-3-methylpiperazin-2-one
CID 79683871
[5-(3-aminoprop-1-ynyl)thiophen-3-yl]-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 79684116
3-[4-(2,5-dimethylmorpholine-4-carbonyl)thiophen-2-yl]prop-2-enoic acid
CID 79683847
[5-(3-aminoprop-1-ynyl)thiophen-3-yl]-(2-ethylazepan-1-yl)methanone
CID 104691240
[5-(3-aminoprop-1-ynyl)thiophen-3-yl]-(4-ethylpiperidin-1-yl)methanone
CID 79683936
[5-(3-aminoprop-1-ynyl)thiophen-3-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 79683546

Frequently Asked Questions

What is the IUPAC name of [5-(3-aminoprop-1-ynyl)thiophen-3-yl]-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [5-(3-aminoprop-1-ynyl)thiophen-3-yl]-(2,5-dimethylmorpholin-4-yl)methanone (CID 79684258) is [5-(3-aminoprop-1-ynyl)thiophen-3-yl]-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-(3-aminoprop-1-ynyl)thiophen-3-yl]-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [5-(3-aminoprop-1-ynyl)thiophen-3-yl]-(2,5-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2csc(C#CCN)c2)C(C)CO1.
What is the InChIKey of [5-(3-aminoprop-1-ynyl)thiophen-3-yl]-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is QMFRCKKYGFYYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10-8-18-11(2)7-16(10)14(17)12-6-13(19-9-12)4-3-5-15/h6,9-11H,5,7-8,15H2,1-2H3.
What are the key properties of [5-(3-aminoprop-1-ynyl)thiophen-3-yl]-(2,5-dimethylmorpholin-4-yl)methanone?
[5-(3-aminoprop-1-ynyl)thiophen-3-yl]-(2,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 278.38 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-aminoprop-1-ynyl)thiophen-3-yl]-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 79684258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).