5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide

C15H21N3OS — CID 63208989

IUPAC5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
SMILESCN(CCN1CCCC1)C(=O)c1ccc(C#CCN)s1
InChIInChI=1S/C15H21N3OS/c1-17(11-12-18-9-2-3-10-18)15(19)14-7-6-13(20-14)5-4-8-16/h6-7H,2-3,8-12,16H2,1H3
InChIKeyQXACEVFZODUKTR-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.23
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide (PubChem CID 63208989) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
PubChem CID63208989
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
SMILESCN(CCN1CCCC1)C(=O)c1ccc(C#CCN)s1
InChIInChI=1S/C15H21N3OS/c1-17(11-12-18-9-2-3-10-18)15(19)14-7-6-13(20-14)5-4-8-16/h6-7H,2-3,8-12,16H2,1H3
InChIKeyQXACEVFZODUKTR-UHFFFAOYSA-N
XLogP1.23
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.23
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)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63208988
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CID 61074964
5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 63209030
5-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
CID 61433401
N-methyl-5-(morpholin-4-ylmethyl)-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 123601424
5-(3-aminoprop-1-ynyl)-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide
CID 106326823
5-(3-aminoprop-1-ynyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide
CID 55012421
5-(3-aminoprop-1-ynyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-2-carboxamide
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5-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 62002532
[5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2-ethylazepan-1-yl)methanone
CID 104691242
5-(3-aminoprop-1-ynyl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 61075848
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide (CID 63208989) is 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide is CN(CCN1CCCC1)C(=O)c1ccc(C#CCN)s1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The InChIKey is QXACEVFZODUKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-17(11-12-18-9-2-3-10-18)15(19)14-7-6-13(20-14)5-4-8-16/h6-7H,2-3,8-12,16H2,1H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 1.23, 4 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)-N-methyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 63208989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).