1-aminopropan-2-yl thiophene-2-carboxylate

C8H11NO2S — CID 175287982

IUPAC1-aminopropan-2-yl thiophene-2-carboxylate
SMILESCC(CN)OC(=O)c1cccs1
InChIInChI=1S/C8H11NO2S/c1-6(5-9)11-8(10)7-3-2-4-12-7/h2-4,6H,5,9H2,1H3
InChIKeyWWJAXBSAWPHJIW-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.25
Rot. Bonds3

About 1-aminopropan-2-yl thiophene-2-carboxylate

1-aminopropan-2-yl thiophene-2-carboxylate (PubChem CID 175287982) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 1-aminopropan-2-yl thiophene-2-carboxylate.

Molecular Properties

Compound Name1-aminopropan-2-yl thiophene-2-carboxylate
PubChem CID175287982
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name1-aminopropan-2-yl thiophene-2-carboxylate
SMILESCC(CN)OC(=O)c1cccs1
InChIInChI=1S/C8H11NO2S/c1-6(5-9)11-8(10)7-3-2-4-12-7/h2-4,6H,5,9H2,1H3
InChIKeyWWJAXBSAWPHJIW-UHFFFAOYSA-N
XLogP1.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-diaminopropan-2-yl thiophene-2-carboxylate
CID 139769696
[(2R)-1-[benzyl(methyl)amino]propan-2-yl] thiophene-2-carboxylate
CID 1089166
aminomethyl thiophene-2-carboxylate
CID 142796710
[(2R)-1-pyrazol-1-ylpropan-2-yl] thiophene-2-carboxylate
CID 96995944
ethoxycarbonyl thiophene-2-carboxylate
CID 174341165
5-oxooctan-4-yl thiophene-2-carboxylate
CID 86024125
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 16524144
[(2S)-4-methylpentan-2-yl] (2R)-2-(thiophene-2-carbonylamino)propanoate
CID 95572910
(2-oxo-1-phenylpropyl) thiophene-2-carboxylate
CID 134968020
propan-2-amine;thiophene-2-carboxylic acid
CID 174701743
[1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl] thiophene-2-carboxylate
CID 3220275
2-sulfanylethyl thiophene-2-carboxylate
CID 175040305

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-yl thiophene-2-carboxylate?
The IUPAC name of 1-aminopropan-2-yl thiophene-2-carboxylate (CID 175287982) is 1-aminopropan-2-yl thiophene-2-carboxylate.
What is the SMILES notation for 1-aminopropan-2-yl thiophene-2-carboxylate?
The canonical SMILES for 1-aminopropan-2-yl thiophene-2-carboxylate is CC(CN)OC(=O)c1cccs1.
What is the InChIKey of 1-aminopropan-2-yl thiophene-2-carboxylate?
The InChIKey is WWJAXBSAWPHJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-6(5-9)11-8(10)7-3-2-4-12-7/h2-4,6H,5,9H2,1H3.
What are the key properties of 1-aminopropan-2-yl thiophene-2-carboxylate?
1-aminopropan-2-yl thiophene-2-carboxylate has a molecular weight of 185.25 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-yl thiophene-2-carboxylate is sourced from PubChem (CID 175287982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).