5-(2-aminoethylsulfanyl)furan-2-carboxylic acid

C7H9NO3S — CID 63942556

IUPAC5-(2-aminoethylsulfanyl)furan-2-carboxylic acid
SMILESNCCSc1ccc(C(=O)O)o1
InChIInChI=1S/C7H9NO3S/c8-3-4-12-6-2-1-5(11-6)7(9)10/h1-2H,3-4,8H2,(H,9,10)
InChIKeyNBOWUQMAXDWJFL-UHFFFAOYSA-N
MW187.22 g/mol
LogP1.03
Rot. Bonds4

About 5-(2-aminoethylsulfanyl)furan-2-carboxylic acid

5-(2-aminoethylsulfanyl)furan-2-carboxylic acid (PubChem CID 63942556) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 5-(2-aminoethylsulfanyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-aminoethylsulfanyl)furan-2-carboxylic acid
PubChem CID63942556
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name5-(2-aminoethylsulfanyl)furan-2-carboxylic acid
SMILESNCCSc1ccc(C(=O)O)o1
InChIInChI=1S/C7H9NO3S/c8-3-4-12-6-2-1-5(11-6)7(9)10/h1-2H,3-4,8H2,(H,9,10)
InChIKeyNBOWUQMAXDWJFL-UHFFFAOYSA-N
XLogP1.03
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-pentylsulfanylfuran-2-carboxylic acid
CID 21162492
5-decylsulfanylfuran-2-carboxylic acid
CID 21327068
5-[2-(4-fluorophenyl)sulfanylethylsulfanyl]furan-2-carboxylic acid
CID 63943546
5-[(3,4-difluorophenyl)methylsulfanyl]furan-2-carboxylic acid
CID 82918314
5-[2-(3-amino-3-oxopropyl)sulfonylethylsulfanyl]furan-2-carboxylic acid
CID 63943162
5-[2-(4-methoxyphenoxy)ethylsulfanyl]furan-2-carboxylic acid
CID 63942993
5-[2-(3-bromophenoxy)ethylsulfanyl]furan-2-carboxylic acid
CID 63941811
5-[2-(3-methylphenoxy)ethylsulfanyl]furan-2-carboxylic acid
CID 63941993
5-(1,3-benzodioxol-5-ylmethylsulfanyl)furan-2-carboxylic acid
CID 63942980
5-(2-methylidenebutylsulfanyl)furan-2-carboxylic acid
CID 66044939
5-(3-hydroxy-2-methylpropyl)sulfanylfuran-2-carboxylic acid
CID 66104193
5-[(4-nitrophenyl)methylsulfanyl]furan-2-carboxylic acid
CID 63943923

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylsulfanyl)furan-2-carboxylic acid?
The IUPAC name of 5-(2-aminoethylsulfanyl)furan-2-carboxylic acid (CID 63942556) is 5-(2-aminoethylsulfanyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-aminoethylsulfanyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-aminoethylsulfanyl)furan-2-carboxylic acid is NCCSc1ccc(C(=O)O)o1.
What is the InChIKey of 5-(2-aminoethylsulfanyl)furan-2-carboxylic acid?
The InChIKey is NBOWUQMAXDWJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c8-3-4-12-6-2-1-5(11-6)7(9)10/h1-2H,3-4,8H2,(H,9,10).
What are the key properties of 5-(2-aminoethylsulfanyl)furan-2-carboxylic acid?
5-(2-aminoethylsulfanyl)furan-2-carboxylic acid has a molecular weight of 187.22 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylsulfanyl)furan-2-carboxylic acid is sourced from PubChem (CID 63942556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).