2-(azetidin-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide

C14H20N2OS — CID 116677059

IUPAC2-(azetidin-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cc2c(s1)CCC2)C1CNC1
InChIInChI=1S/C14H20N2OS/c1-9(11-6-15-7-11)14(17)16-8-12-5-10-3-2-4-13(10)18-12/h5,9,11,15H,2-4,6-8H2,1H3,(H,16,17)
InChIKeyGIJTUVNGTVGBLC-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.71
Rot. Bonds4

About 2-(azetidin-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide

2-(azetidin-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide (PubChem CID 116677059) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide
PubChem CID116677059
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-(azetidin-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cc2c(s1)CCC2)C1CNC1
InChIInChI=1S/C14H20N2OS/c1-9(11-6-15-7-11)14(17)16-8-12-5-10-3-2-4-13(10)18-12/h5,9,11,15H,2-4,6-8H2,1H3,(H,16,17)
InChIKeyGIJTUVNGTVGBLC-UHFFFAOYSA-N
XLogP1.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpropanamide
CID 62728528
(2S)-2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-methylpentanamide
CID 61208957
N-cyclopentyl-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide
CID 61207988
2-(azetidin-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]propanamide
CID 116678035
2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpropanamide
CID 61265462
(2R)-2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenylpropanamide
CID 78984677
4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutanamide
CID 103155467
2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 61207570
2-[2-(aminomethyl)phenyl]-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)acetamide
CID 81312193
3-(cyclopropylamino)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide
CID 61208786
trans-(1R,3R)-3-benzyl-N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 157413299
3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide
CID 61208365

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide (CID 116677059) is 2-(azetidin-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide is CC(C(=O)NCc1cc2c(s1)CCC2)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide?
The InChIKey is GIJTUVNGTVGBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-9(11-6-15-7-11)14(17)16-8-12-5-10-3-2-4-13(10)18-12/h5,9,11,15H,2-4,6-8H2,1H3,(H,16,17).
What are the key properties of 2-(azetidin-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide?
2-(azetidin-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide has a molecular weight of 264.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 116677059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).