5-[2-(3-amino-3-oxopropyl)sulfonylethylsulfanyl]furan-2-carboxylic acid

C10H13NO6S2 — CID 63943162

IUPAC5-[2-(3-amino-3-oxopropyl)sulfonylethylsulfanyl]furan-2-carboxylic acid
SMILESNC(=O)CCS(=O)(=O)CCSc1ccc(C(=O)O)o1
InChIInChI=1S/C10H13NO6S2/c11-8(12)3-5-19(15,16)6-4-18-9-2-1-7(17-9)10(13)14/h1-2H,3-6H2,(H2,11,12)(H,13,14)
InChIKeyFFBGMCMUNLXBIG-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.36
Rot. Bonds8

About 5-[2-(3-amino-3-oxopropyl)sulfonylethylsulfanyl]furan-2-carboxylic acid

5-[2-(3-amino-3-oxopropyl)sulfonylethylsulfanyl]furan-2-carboxylic acid (PubChem CID 63943162) has the molecular formula C10H13NO6S2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-[2-(3-amino-3-oxopropyl)sulfonylethylsulfanyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3-amino-3-oxopropyl)sulfonylethylsulfanyl]furan-2-carboxylic acid
PubChem CID63943162
Molecular FormulaC10H13NO6S2
Molecular Weight307.35 g/mol
Exact Mass307.02
IUPAC Name5-[2-(3-amino-3-oxopropyl)sulfonylethylsulfanyl]furan-2-carboxylic acid
SMILESNC(=O)CCS(=O)(=O)CCSc1ccc(C(=O)O)o1
InChIInChI=1S/C10H13NO6S2/c11-8(12)3-5-19(15,16)6-4-18-9-2-1-7(17-9)10(13)14/h1-2H,3-6H2,(H2,11,12)(H,13,14)
InChIKeyFFBGMCMUNLXBIG-UHFFFAOYSA-N
XLogP0.36
TPSA127.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-amino-3-oxopropyl)sulfonylethylsulfanyl]furan-2-carboxylic acid?
The IUPAC name of 5-[2-(3-amino-3-oxopropyl)sulfonylethylsulfanyl]furan-2-carboxylic acid (CID 63943162) is 5-[2-(3-amino-3-oxopropyl)sulfonylethylsulfanyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-(3-amino-3-oxopropyl)sulfonylethylsulfanyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-(3-amino-3-oxopropyl)sulfonylethylsulfanyl]furan-2-carboxylic acid is NC(=O)CCS(=O)(=O)CCSc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[2-(3-amino-3-oxopropyl)sulfonylethylsulfanyl]furan-2-carboxylic acid?
The InChIKey is FFBGMCMUNLXBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO6S2/c11-8(12)3-5-19(15,16)6-4-18-9-2-1-7(17-9)10(13)14/h1-2H,3-6H2,(H2,11,12)(H,13,14).
What are the key properties of 5-[2-(3-amino-3-oxopropyl)sulfonylethylsulfanyl]furan-2-carboxylic acid?
5-[2-(3-amino-3-oxopropyl)sulfonylethylsulfanyl]furan-2-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 0.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-amino-3-oxopropyl)sulfonylethylsulfanyl]furan-2-carboxylic acid is sourced from PubChem (CID 63943162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).