5-[(thiolan-3-ylcarbamoylamino)methyl]furan-2-carboxylic acid

C11H14N2O4S — CID 103064031

IUPAC5-[(thiolan-3-ylcarbamoylamino)methyl]furan-2-carboxylic acid
SMILESO=C(NCc1ccc(C(=O)O)o1)NC1CCSC1
InChIInChI=1S/C11H14N2O4S/c14-10(15)9-2-1-8(17-9)5-12-11(16)13-7-3-4-18-6-7/h1-2,7H,3-6H2,(H,14,15)(H2,12,13,16)
InChIKeyGLLJIOMFJIWITI-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.28
Rot. Bonds4

About 5-[(thiolan-3-ylcarbamoylamino)methyl]furan-2-carboxylic acid

5-[(thiolan-3-ylcarbamoylamino)methyl]furan-2-carboxylic acid (PubChem CID 103064031) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 5-[(thiolan-3-ylcarbamoylamino)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(thiolan-3-ylcarbamoylamino)methyl]furan-2-carboxylic acid
PubChem CID103064031
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name5-[(thiolan-3-ylcarbamoylamino)methyl]furan-2-carboxylic acid
SMILESO=C(NCc1ccc(C(=O)O)o1)NC1CCSC1
InChIInChI=1S/C11H14N2O4S/c14-10(15)9-2-1-8(17-9)5-12-11(16)13-7-3-4-18-6-7/h1-2,7H,3-6H2,(H,14,15)(H2,12,13,16)
InChIKeyGLLJIOMFJIWITI-UHFFFAOYSA-N
XLogP1.28
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]furan-2-carboxylic acid
CID 113475840
5-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]furan-2-carboxylic acid
CID 80720484
5-(thian-4-ylcarbamoyl)furan-2-carboxylic acid
CID 115923764
2-[(thiolan-3-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 103064162
5-[(adamantane-1-carbonylamino)methyl]furan-2-carboxylic acid
CID 119245737
5-[[[(1R,2R,4R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 90653945
5-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 107175730
5-(thiolan-3-ylmethylcarbamoyl)furan-2-carboxylic acid
CID 107297808
5-[(thiadiazol-5-ylcarbamoylamino)methyl]furan-2-carboxylic acid
CID 114913031
2-[2-(thiolan-3-ylcarbamoylamino)ethyl]benzoic acid
CID 103063941
5-[[[(2R)-piperidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 104914288
1-phenyl-3-(thiolan-3-yl)urea
CID 2805565

Frequently Asked Questions

What is the IUPAC name of 5-[(thiolan-3-ylcarbamoylamino)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(thiolan-3-ylcarbamoylamino)methyl]furan-2-carboxylic acid (CID 103064031) is 5-[(thiolan-3-ylcarbamoylamino)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(thiolan-3-ylcarbamoylamino)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(thiolan-3-ylcarbamoylamino)methyl]furan-2-carboxylic acid is O=C(NCc1ccc(C(=O)O)o1)NC1CCSC1.
What is the InChIKey of 5-[(thiolan-3-ylcarbamoylamino)methyl]furan-2-carboxylic acid?
The InChIKey is GLLJIOMFJIWITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c14-10(15)9-2-1-8(17-9)5-12-11(16)13-7-3-4-18-6-7/h1-2,7H,3-6H2,(H,14,15)(H2,12,13,16).
What are the key properties of 5-[(thiolan-3-ylcarbamoylamino)methyl]furan-2-carboxylic acid?
5-[(thiolan-3-ylcarbamoylamino)methyl]furan-2-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(thiolan-3-ylcarbamoylamino)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 103064031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).