3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide

C11H16N2OS — CID 61208365

IUPAC3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide
SMILESNC(=O)CCNCc1cc2c(s1)CCC2
InChIInChI=1S/C11H16N2OS/c12-11(14)4-5-13-7-9-6-8-2-1-3-10(8)15-9/h6,13H,1-5,7H2,(H2,12,14)
InChIKeyQRDIOPBHYHZLKX-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.20
Rot. Bonds5

About 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide

3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide (PubChem CID 61208365) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide.

Molecular Properties

Compound Name3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide
PubChem CID61208365
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide
SMILESNC(=O)CCNCc1cc2c(s1)CCC2
InChIInChI=1S/C11H16N2OS/c12-11(14)4-5-13-7-9-6-8-2-1-3-10(8)15-9/h6,13H,1-5,7H2,(H2,12,14)
InChIKeyQRDIOPBHYHZLKX-UHFFFAOYSA-N
XLogP1.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pentan-1-amine
CID 61208352
N'-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethane-1,2-diamine
CID 113405391
2-[5-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid
CID 82893996
3-(cyclopropylamino)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide
CID 61208786
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 82889883
2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpropanamide
CID 61265462
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1-piperidin-1-ylethanone
CID 61206877
(2R)-2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenylpropanamide
CID 78984677
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-(2-methoxyethyl)acetamide
CID 54956112
N-cyclopentyl-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)acetamide
CID 61207061
ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-hydroxybutanoate
CID 103242925
(2S)-2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-methylpentanamide
CID 61208957

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide?
The IUPAC name of 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide (CID 61208365) is 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide.
What is the SMILES notation for 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide?
The canonical SMILES for 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide is NC(=O)CCNCc1cc2c(s1)CCC2.
What is the InChIKey of 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide?
The InChIKey is QRDIOPBHYHZLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c12-11(14)4-5-13-7-9-6-8-2-1-3-10(8)15-9/h6,13H,1-5,7H2,(H2,12,14).
What are the key properties of 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide?
3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide has a molecular weight of 224.33 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide is sourced from PubChem (CID 61208365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).