[3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone

C16H22N2O2S — CID 102745174

IUPAC[3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2sccc2C#CCN)CC(C)(C)O1
InChIInChI=1S/C16H22N2O2S/c1-15(2)10-18(11-16(3,4)20-15)14(19)13-12(6-5-8-17)7-9-21-13/h7,9H,8,10-11,17H2,1-4H3
InChIKeyGPHQKOLDYLXLCS-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.09
Rot. Bonds1

About [3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone

[3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone (PubChem CID 102745174) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is [3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
PubChem CID102745174
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name[3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2sccc2C#CCN)CC(C)(C)O1
InChIInChI=1S/C16H22N2O2S/c1-15(2)10-18(11-16(3,4)20-15)14(19)13-12(6-5-8-17)7-9-21-13/h7,9H,8,10-11,17H2,1-4H3
InChIKeyGPHQKOLDYLXLCS-UHFFFAOYSA-N
XLogP2.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.09
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

[3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 63799334
[3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(4-propylpiperazin-1-yl)methanone
CID 63799505
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methanone
CID 115561139
(2,2-dimethylmorpholin-4-yl)-[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone
CID 63798502
[3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103537061
4-[3-(3-aminoprop-1-ynyl)thiophene-2-carbonyl]-3,3-dimethylpiperazine-2,6-dione
CID 66069410
3-(3-aminoprop-1-ynyl)-N,N-dipropylthiophene-2-carboxamide
CID 63801431
[3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114594691
3-(3-aminoprop-1-ynyl)-N-butan-2-yl-N-methylthiophene-2-carboxamide
CID 63801444
[3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
CID 63799867
[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394282
[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 55238777

Frequently Asked Questions

What is the IUPAC name of [3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The IUPAC name of [3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone (CID 102745174) is [3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone.
What is the SMILES notation for [3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The canonical SMILES for [3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone is CC1(C)CN(C(=O)c2sccc2C#CCN)CC(C)(C)O1.
What is the InChIKey of [3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The InChIKey is GPHQKOLDYLXLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-15(2)10-18(11-16(3,4)20-15)14(19)13-12(6-5-8-17)7-9-21-13/h7,9H,8,10-11,17H2,1-4H3.
What are the key properties of [3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
[3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone has a molecular weight of 306.43 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone is sourced from PubChem (CID 102745174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).