5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)-4-methylthiophene-2-carboxamide

C16H20N2OS — CID 79990489

IUPAC5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC(C2CC2)C2CC2)sc1C#CCN
InChIInChI=1S/C16H20N2OS/c1-10-9-14(20-13(10)3-2-8-17)16(19)18-15(11-4-5-11)12-6-7-12/h9,11-12,15H,4-8,17H2,1H3,(H,18,19)
InChIKeyKQWWEZDEBSTRNF-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.29
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)-4-methylthiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)-4-methylthiophene-2-carboxamide (PubChem CID 79990489) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)-4-methylthiophene-2-carboxamide
PubChem CID79990489
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC(C2CC2)C2CC2)sc1C#CCN
InChIInChI=1S/C16H20N2OS/c1-10-9-14(20-13(10)3-2-8-17)16(19)18-15(11-4-5-11)12-6-7-12/h9,11-12,15H,4-8,17H2,1H3,(H,18,19)
InChIKeyKQWWEZDEBSTRNF-UHFFFAOYSA-N
XLogP2.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-(2,2-dicyclopropylethyl)-4-methylthiophene-2-carboxamide
CID 79998554
5-(3-aminoprop-1-ynyl)-N-cyclopentyl-4-methylthiophene-2-carboxamide
CID 79989786
5-(3-aminoprop-1-ynyl)-N-cyclohexyl-4-methylthiophene-2-carboxamide
CID 79990031
5-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)-4-methylthiophene-2-carboxamide
CID 79990036
N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-(3-aminoprop-1-ynyl)-4-methylthiophene-2-carboxamide
CID 106346971
5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)-4-methylthiophene-2-carboxamide
CID 79990485
5-(3-aminoprop-1-ynyl)-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide
CID 79978093
5-(3-aminoprop-1-ynyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-2-carboxamide
CID 107420312
5-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)-4-methylthiophene-2-carboxamide
CID 79990424
5-(3-aminoprop-1-ynyl)-4-methyl-N-pyrimidin-5-ylthiophene-2-carboxamide
CID 107589658
5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methylpentyl)thiophene-2-carboxamide
CID 79990142
5-(3-aminoprop-1-ynyl)-N-(1-methoxypentan-2-yl)-4-methylthiophene-2-carboxamide
CID 79990327

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)-4-methylthiophene-2-carboxamide (CID 79990489) is 5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)NC(C2CC2)C2CC2)sc1C#CCN.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)-4-methylthiophene-2-carboxamide?
The InChIKey is KQWWEZDEBSTRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-10-9-14(20-13(10)3-2-8-17)16(19)18-15(11-4-5-11)12-6-7-12/h9,11-12,15H,4-8,17H2,1H3,(H,18,19).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)-4-methylthiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)-4-methylthiophene-2-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79990489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).