3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide

C14H17N3O2S — CID 63799883

IUPAC3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1sccc1C#CCN
InChIInChI=1S/C14H17N3O2S/c1-19-10-9-17(8-3-7-16)14(18)13-12(4-2-6-15)5-11-20-13/h5,11H,3,6,8-10,15H2,1H3
InChIKeyAJXHEDAXOJZRQP-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.06
Rot. Bonds6

About 3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide

3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide (PubChem CID 63799883) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
PubChem CID63799883
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1sccc1C#CCN
InChIInChI=1S/C14H17N3O2S/c1-19-10-9-17(8-3-7-16)14(18)13-12(4-2-6-15)5-11-20-13/h5,11H,3,6,8-10,15H2,1H3
InChIKeyAJXHEDAXOJZRQP-UHFFFAOYSA-N
XLogP1.06
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanoethyl)-3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 63797540
3-(3-aminoprop-1-ynyl)-N,N-dipropylthiophene-2-carboxamide
CID 63801431
5-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 79684439
3-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-pentan-3-ylthiophene-2-carboxamide
CID 63799701
3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-cyclopropylthiophene-2-carboxamide
CID 63799003
3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)benzamide
CID 63286904
N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 63237168
methyl 2-[[3-(3-aminoprop-1-ynyl)thiophene-2-carbonyl]-ethylamino]acetate
CID 63801626
3-(3-aminoprop-1-ynyl)-N-ethyl-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide
CID 63800749
3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylthiophene-2-carboxamide
CID 63800576
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide
CID 55169226
N-(2-cyanoethyl)-N-(2-methoxyethyl)-5-methylfuran-2-carboxamide
CID 55169420

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide (CID 63799883) is 3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide is COCCN(CCC#N)C(=O)c1sccc1C#CCN.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide?
The InChIKey is AJXHEDAXOJZRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-19-10-9-17(8-3-7-16)14(18)13-12(4-2-6-15)5-11-20-13/h5,11H,3,6,8-10,15H2,1H3.
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 63799883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).