5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N,4-dimethylthiophene-2-carboxamide

C16H22N2OS — CID 79990324

IUPAC5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N,4-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CCCC2)sc1C#CCN
InChIInChI=1S/C16H22N2OS/c1-12-10-15(20-14(12)8-5-9-17)16(19)18(2)11-13-6-3-4-7-13/h10,13H,3-4,6-7,9,11,17H2,1-2H3
InChIKeyLYSKJOBHICWISR-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.63
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N,4-dimethylthiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N,4-dimethylthiophene-2-carboxamide (PubChem CID 79990324) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N,4-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N,4-dimethylthiophene-2-carboxamide
PubChem CID79990324
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N,4-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CCCC2)sc1C#CCN
InChIInChI=1S/C16H22N2OS/c1-12-10-15(20-14(12)8-5-9-17)16(19)18(2)11-13-6-3-4-7-13/h10,13H,3-4,6-7,9,11,17H2,1-2H3
InChIKeyLYSKJOBHICWISR-UHFFFAOYSA-N
XLogP2.63
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N,4-dimethylthiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N,4-dimethylthiophene-2-carboxamide (CID 79990324) is 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N,4-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N,4-dimethylthiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N,4-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)N(C)CC2CCCC2)sc1C#CCN.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N,4-dimethylthiophene-2-carboxamide?
The InChIKey is LYSKJOBHICWISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-12-10-15(20-14(12)8-5-9-17)16(19)18(2)11-13-6-3-4-7-13/h10,13H,3-4,6-7,9,11,17H2,1-2H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N,4-dimethylthiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N,4-dimethylthiophene-2-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N,4-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 79990324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).