5-(3-aminoprop-1-ynyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-2-carboxamide

C16H22N2OS — CID 107420312

IUPAC5-(3-aminoprop-1-ynyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC2CCCC2C)sc1C#CCN
InChIInChI=1S/C16H22N2OS/c1-11-5-3-6-13(11)10-18-16(19)15-9-12(2)14(20-15)7-4-8-17/h9,11,13H,3,5-6,8,10,17H2,1-2H3,(H,18,19)
InChIKeyFGSJBOZUIDXGSU-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.53
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-2-carboxamide (PubChem CID 107420312) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-2-carboxamide
PubChem CID107420312
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name5-(3-aminoprop-1-ynyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC2CCCC2C)sc1C#CCN
InChIInChI=1S/C16H22N2OS/c1-11-5-3-6-13(11)10-18-16(19)15-9-12(2)14(20-15)7-4-8-17/h9,11,13H,3,5-6,8,10,17H2,1-2H3,(H,18,19)
InChIKeyFGSJBOZUIDXGSU-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.53
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-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide
CID 79978093
5-(3-aminoprop-1-ynyl)-4-methyl-N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-carboxamide
CID 79998276
5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)-4-methylthiophene-2-carboxamide
CID 79990485
5-(3-aminoprop-1-ynyl)-N-cyclopentyl-4-methylthiophene-2-carboxamide
CID 79989786
5-(3-aminoprop-1-ynyl)-N-(2,2-dicyclopropylethyl)-4-methylthiophene-2-carboxamide
CID 79998554
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
5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)-4-methylthiophene-2-carboxamide
CID 79990489
5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]thiophene-2-carboxamide
CID 79989898
3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107420310
5-methyl-N-[(2-methylcyclopentyl)methyl]-4-sulfamoylthiophene-2-carboxamide
CID 107421025
5-(3-hydroxyprop-1-ynyl)-4-methyl-N-[(4-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 79977534

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-2-carboxamide (CID 107420312) is 5-(3-aminoprop-1-ynyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-2-carboxamide is Cc1cc(C(=O)NCC2CCCC2C)sc1C#CCN.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-2-carboxamide?
The InChIKey is FGSJBOZUIDXGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11-5-3-6-13(11)10-18-16(19)15-9-12(2)14(20-15)7-4-8-17/h9,11,13H,3,5-6,8,10,17H2,1-2H3,(H,18,19).
What are the key properties of 5-(3-aminoprop-1-ynyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-2-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 2.53, 3 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)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 107420312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).