4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutanamide

C13H20N2O2S — CID 103155467

IUPAC4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCc1cc2c(s1)CCC2
InChIInChI=1S/C13H20N2O2S/c1-17-10(7-14)6-13(16)15-8-11-5-9-3-2-4-12(9)18-11/h5,10H,2-4,6-8,14H2,1H3,(H,15,16)
InChIKeyWSWUUFPZBWPXNP-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.22
Rot. Bonds6

About 4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutanamide

4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutanamide (PubChem CID 103155467) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutanamide
PubChem CID103155467
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCc1cc2c(s1)CCC2
InChIInChI=1S/C13H20N2O2S/c1-17-10(7-14)6-13(16)15-8-11-5-9-3-2-4-12(9)18-11/h5,10H,2-4,6-8,14H2,1H3,(H,15,16)
InChIKeyWSWUUFPZBWPXNP-UHFFFAOYSA-N
XLogP1.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)phenyl]-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)acetamide
CID 81312193
2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpropanamide
CID 61265462
(2S)-2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-methylpentanamide
CID 61208957
3-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpropanamide
CID 62728528
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-(2-methoxyethyl)acetamide
CID 54956112
4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 61208774
3-(cyclopropylamino)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide
CID 61208786
ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-hydroxybutanoate
CID 103242925
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 61487887
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutan-2-amine
CID 115717106
methyl (E)-3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)prop-2-enoate
CID 103242950
2-(azetidin-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide
CID 116677059

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutanamide (CID 103155467) is 4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutanamide is COC(CN)CC(=O)NCc1cc2c(s1)CCC2.
What is the InChIKey of 4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutanamide?
The InChIKey is WSWUUFPZBWPXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-17-10(7-14)6-13(16)15-8-11-5-9-3-2-4-12(9)18-11/h5,10H,2-4,6-8,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutanamide?
4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutanamide has a molecular weight of 268.38 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutanamide is sourced from PubChem (CID 103155467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).