3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-cyclopropylthiophene-2-carboxamide

C14H15N3OS — CID 63799003

IUPAC3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-cyclopropylthiophene-2-carboxamide
SMILESN#CCCN(C(=O)c1sccc1C#CCN)C1CC1
InChIInChI=1S/C14H15N3OS/c15-7-1-3-11-6-10-19-13(11)14(18)17(9-2-8-16)12-4-5-12/h6,10,12H,2,4-5,7,9,15H2
InChIKeyJZZSOBOISOXHJK-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.58
Rot. Bonds4

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

3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-cyclopropylthiophene-2-carboxamide (PubChem CID 63799003) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-cyclopropylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-cyclopropylthiophene-2-carboxamide
PubChem CID63799003
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-cyclopropylthiophene-2-carboxamide
SMILESN#CCCN(C(=O)c1sccc1C#CCN)C1CC1
InChIInChI=1S/C14H15N3OS/c15-7-1-3-11-6-10-19-13(11)14(18)17(9-2-8-16)12-4-5-12/h6,10,12H,2,4-5,7,9,15H2
InChIKeyJZZSOBOISOXHJK-UHFFFAOYSA-N
XLogP1.58
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.58
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

N-(2-cyanoethyl)-N-cyclopropyl-3-methoxythiophene-2-carboxamide
CID 78998920
3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 63799883
3-(3-aminoprop-1-ynyl)-N,N-dipropylthiophene-2-carboxamide
CID 63801431
3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 55238418
3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
CID 63799691
3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-3-ylmethyl)thiophene-2-carboxamide
CID 63801465
N-(2-cyanoethyl)-N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107521891
3-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 63801275
3-(3-aminoprop-1-ynyl)-N-cycloheptylthiophene-2-carboxamide
CID 63801612
3-(3-aminoprop-1-ynyl)-N-butan-2-yl-N-methylthiophene-2-carboxamide
CID 63801444
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methanone
CID 115561139
3-(3-aminoprop-1-ynyl)-N-(thiolan-2-ylmethyl)thiophene-2-carboxamide
CID 80586271

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-cyclopropylthiophene-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-cyclopropylthiophene-2-carboxamide (CID 63799003) is 3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-cyclopropylthiophene-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-cyclopropylthiophene-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-cyclopropylthiophene-2-carboxamide is N#CCCN(C(=O)c1sccc1C#CCN)C1CC1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-cyclopropylthiophene-2-carboxamide?
The InChIKey is JZZSOBOISOXHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c15-7-1-3-11-6-10-19-13(11)14(18)17(9-2-8-16)12-4-5-12/h6,10,12H,2,4-5,7,9,15H2.
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-cyclopropylthiophene-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-cyclopropylthiophene-2-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 1.58, 4 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)-N-(2-cyanoethyl)-N-cyclopropylthiophene-2-carboxamide is sourced from PubChem (CID 63799003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).