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

C13H16N2O2S — CID 103537075

IUPAC[5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(3-methoxypyrrolidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccc(C#CCN)s2)C1
InChIInChI=1S/C13H16N2O2S/c1-17-10-6-8-15(9-10)13(16)12-5-4-11(18-12)3-2-7-14/h4-5,10H,6-9,14H2,1H3
InChIKeyURNVHZVJCIBXID-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.92
Rot. Bonds2

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

[5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(3-methoxypyrrolidin-1-yl)methanone (PubChem CID 103537075) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is [5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(3-methoxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(3-methoxypyrrolidin-1-yl)methanone
PubChem CID103537075
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name[5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(3-methoxypyrrolidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccc(C#CCN)s2)C1
InChIInChI=1S/C13H16N2O2S/c1-17-10-6-8-15(9-10)13(16)12-5-4-11(18-12)3-2-7-14/h4-5,10H,6-9,14H2,1H3
InChIKeyURNVHZVJCIBXID-UHFFFAOYSA-N
XLogP0.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.92
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]-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79165844
[3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103537061
[5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2-ethylmorpholin-4-yl)methanone
CID 61074607
[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
[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103537066
[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103537069
(4-ethoxypiperidin-1-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone
CID 61216696
[5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2-ethylazepan-1-yl)methanone
CID 104691242
[3-(diethylamino)pyrrolidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone
CID 63175231
(4-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone
CID 61422006
[5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 61075652
[3-(3-aminoprop-1-ynyl)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
CID 102964074

Frequently Asked Questions

What is the IUPAC name of [5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(3-methoxypyrrolidin-1-yl)methanone?
The IUPAC name of [5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(3-methoxypyrrolidin-1-yl)methanone (CID 103537075) is [5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(3-methoxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(3-methoxypyrrolidin-1-yl)methanone?
The canonical SMILES for [5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(3-methoxypyrrolidin-1-yl)methanone is COC1CCN(C(=O)c2ccc(C#CCN)s2)C1.
What is the InChIKey of [5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(3-methoxypyrrolidin-1-yl)methanone?
The InChIKey is URNVHZVJCIBXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-17-10-6-8-15(9-10)13(16)12-5-4-11(18-12)3-2-7-14/h4-5,10H,6-9,14H2,1H3.
What are the key properties of [5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(3-methoxypyrrolidin-1-yl)methanone?
[5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(3-methoxypyrrolidin-1-yl)methanone has a molecular weight of 264.35 g/mol, XLogP of 0.92, 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]-(3-methoxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 103537075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).