3-amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-2-carboxylic acid

C15H15NO2S — CID 83971331

IUPAC3-amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-2-carboxylic acid
SMILESNc1c(-c2ccc3c(c2)CCCC3)csc1C(=O)O
InChIInChI=1S/C15H15NO2S/c16-13-12(8-19-14(13)15(17)18)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4,16H2,(H,17,18)
InChIKeyCVTRIIZBRGDQME-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.57
Rot. Bonds2

About 3-amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-2-carboxylic acid

3-amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-2-carboxylic acid (PubChem CID 83971331) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-2-carboxylic acid
PubChem CID83971331
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name3-amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-2-carboxylic acid
SMILESNc1c(-c2ccc3c(c2)CCCC3)csc1C(=O)O
InChIInChI=1S/C15H15NO2S/c16-13-12(8-19-14(13)15(17)18)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4,16H2,(H,17,18)
InChIKeyCVTRIIZBRGDQME-UHFFFAOYSA-N
XLogP3.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-2-carboxylic acid?
The IUPAC name of 3-amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-2-carboxylic acid (CID 83971331) is 3-amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-2-carboxylic acid is Nc1c(-c2ccc3c(c2)CCCC3)csc1C(=O)O.
What is the InChIKey of 3-amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-2-carboxylic acid?
The InChIKey is CVTRIIZBRGDQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c16-13-12(8-19-14(13)15(17)18)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4,16H2,(H,17,18).
What are the key properties of 3-amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-2-carboxylic acid?
3-amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-2-carboxylic acid has a molecular weight of 273.36 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 83971331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).