4-(3-aminopropyl)thiophene-3-carboxylic acid

C8H11NO2S — CID 82406144

IUPAC4-(3-aminopropyl)thiophene-3-carboxylic acid
SMILESNCCCc1cscc1C(=O)O
InChIInChI=1S/C8H11NO2S/c9-3-1-2-6-4-12-5-7(6)8(10)11/h4-5H,1-3,9H2,(H,10,11)
InChIKeyIKBMPWCDOZDNBK-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.34
Rot. Bonds4

About 4-(3-aminopropyl)thiophene-3-carboxylic acid

4-(3-aminopropyl)thiophene-3-carboxylic acid (PubChem CID 82406144) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 4-(3-aminopropyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-aminopropyl)thiophene-3-carboxylic acid
PubChem CID82406144
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name4-(3-aminopropyl)thiophene-3-carboxylic acid
SMILESNCCCc1cscc1C(=O)O
InChIInChI=1S/C8H11NO2S/c9-3-1-2-6-4-12-5-7(6)8(10)11/h4-5H,1-3,9H2,(H,10,11)
InChIKeyIKBMPWCDOZDNBK-UHFFFAOYSA-N
XLogP1.34
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)thiophene-3-carboxylic acid?
The IUPAC name of 4-(3-aminopropyl)thiophene-3-carboxylic acid (CID 82406144) is 4-(3-aminopropyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(3-aminopropyl)thiophene-3-carboxylic acid?
The canonical SMILES for 4-(3-aminopropyl)thiophene-3-carboxylic acid is NCCCc1cscc1C(=O)O.
What is the InChIKey of 4-(3-aminopropyl)thiophene-3-carboxylic acid?
The InChIKey is IKBMPWCDOZDNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c9-3-1-2-6-4-12-5-7(6)8(10)11/h4-5H,1-3,9H2,(H,10,11).
What are the key properties of 4-(3-aminopropyl)thiophene-3-carboxylic acid?
4-(3-aminopropyl)thiophene-3-carboxylic acid has a molecular weight of 185.25 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 82406144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).