5-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid

C11H15NO4S — CID 63941798

IUPAC5-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid
SMILESCC(C)N(C)C(=O)CSc1ccc(C(=O)O)o1
InChIInChI=1S/C11H15NO4S/c1-7(2)12(3)9(13)6-17-10-5-4-8(16-10)11(14)15/h4-5,7H,6H2,1-3H3,(H,14,15)
InChIKeyZCJWJUYUWCMNPF-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.94
Rot. Bonds5

About 5-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid

5-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid (PubChem CID 63941798) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 5-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid
PubChem CID63941798
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name5-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid
SMILESCC(C)N(C)C(=O)CSc1ccc(C(=O)O)o1
InChIInChI=1S/C11H15NO4S/c1-7(2)12(3)9(13)6-17-10-5-4-8(16-10)11(14)15/h4-5,7H,6H2,1-3H3,(H,14,15)
InChIKeyZCJWJUYUWCMNPF-UHFFFAOYSA-N
XLogP1.94
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63941977
5-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63941810
5-(3-hydroxy-2-methylpropyl)sulfanylfuran-2-carboxylic acid
CID 66104193
5-(2-methylidenebutylsulfanyl)furan-2-carboxylic acid
CID 66044939
5-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylfuran-2-carboxylic acid
CID 63943347
5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63942948
5-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63941429
5-[2-(azocan-1-yl)-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63942950
5-(2-aminoethylsulfanyl)furan-2-carboxylic acid
CID 63942556
5-pentylsulfanylfuran-2-carboxylic acid
CID 21162492
5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanylfuran-2-carboxylic acid
CID 63987361
5-(3-ethoxy-2-hydroxypropyl)sulfanylfuran-2-carboxylic acid
CID 63943925

Frequently Asked Questions

What is the IUPAC name of 5-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid?
The IUPAC name of 5-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid (CID 63941798) is 5-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid?
The canonical SMILES for 5-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid is CC(C)N(C)C(=O)CSc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid?
The InChIKey is ZCJWJUYUWCMNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-7(2)12(3)9(13)6-17-10-5-4-8(16-10)11(14)15/h4-5,7H,6H2,1-3H3,(H,14,15).
What are the key properties of 5-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid?
5-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid has a molecular weight of 257.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid is sourced from PubChem (CID 63941798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).