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

C14H18N2O2S — CID 61074607

IUPAC[5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2-ethylmorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2ccc(C#CCN)s2)CCO1
InChIInChI=1S/C14H18N2O2S/c1-2-11-10-16(8-9-18-11)14(17)13-6-5-12(19-13)4-3-7-15/h5-6,11H,2,7-10,15H2,1H3
InChIKeyYJPDYDLPHXJBFU-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.31
Rot. Bonds2

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

[5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2-ethylmorpholin-4-yl)methanone (PubChem CID 61074607) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is [5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2-ethylmorpholin-4-yl)methanone
PubChem CID61074607
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name[5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2-ethylmorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2ccc(C#CCN)s2)CCO1
InChIInChI=1S/C14H18N2O2S/c1-2-11-10-16(8-9-18-11)14(17)13-6-5-12(19-13)4-3-7-15/h5-6,11H,2,7-10,15H2,1H3
InChIKeyYJPDYDLPHXJBFU-UHFFFAOYSA-N
XLogP1.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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-2-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103537075
[5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79165844
5-(3-aminoprop-1-ynyl)-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide
CID 114401081
[5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 63154784
[5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2-ethylazepan-1-yl)methanone
CID 104691242
2-[4-(5-ethylthiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421949
(2-ethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)-4-methylthiophen-2-yl]methanone
CID 79977177
[2-(bromomethyl)morpholin-4-yl]-(5-bromothiophen-2-yl)methanone
CID 81211705
(1-aminocyclopropyl)-(2-ethylmorpholin-4-yl)methanone
CID 65466783
[2-(chloromethyl)morpholin-4-yl]-(5-chlorothiophen-2-yl)methanone
CID 81210583
[3-(diethylamino)pyrrolidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone
CID 63175231
(2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone
CID 107023047

Frequently Asked Questions

What is the IUPAC name of [5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2-ethylmorpholin-4-yl)methanone?
The IUPAC name of [5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2-ethylmorpholin-4-yl)methanone (CID 61074607) is [5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2-ethylmorpholin-4-yl)methanone?
The canonical SMILES for [5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2-ethylmorpholin-4-yl)methanone is CCC1CN(C(=O)c2ccc(C#CCN)s2)CCO1.
What is the InChIKey of [5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2-ethylmorpholin-4-yl)methanone?
The InChIKey is YJPDYDLPHXJBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-2-11-10-16(8-9-18-11)14(17)13-6-5-12(19-13)4-3-7-15/h5-6,11H,2,7-10,15H2,1H3.
What are the key properties of [5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2-ethylmorpholin-4-yl)methanone?
[5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2-ethylmorpholin-4-yl)methanone has a molecular weight of 278.38 g/mol, XLogP of 1.31, 2 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-2-yl]-(2-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 61074607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).