5-(thiolan-3-ylmethylcarbamoyl)furan-2-carboxylic acid

C11H13NO4S — CID 107297808

IUPAC5-(thiolan-3-ylmethylcarbamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCC2CCSC2)o1
InChIInChI=1S/C11H13NO4S/c13-10(12-5-7-3-4-17-6-7)8-1-2-9(16-8)11(14)15/h1-2,7H,3-6H2,(H,12,13)(H,14,15)
InChIKeyKYEOBSHDKVVNPJ-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.46
Rot. Bonds4

About 5-(thiolan-3-ylmethylcarbamoyl)furan-2-carboxylic acid

5-(thiolan-3-ylmethylcarbamoyl)furan-2-carboxylic acid (PubChem CID 107297808) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is 5-(thiolan-3-ylmethylcarbamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(thiolan-3-ylmethylcarbamoyl)furan-2-carboxylic acid
PubChem CID107297808
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name5-(thiolan-3-ylmethylcarbamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCC2CCSC2)o1
InChIInChI=1S/C11H13NO4S/c13-10(12-5-7-3-4-17-6-7)8-1-2-9(16-8)11(14)15/h1-2,7H,3-6H2,(H,12,13)(H,14,15)
InChIKeyKYEOBSHDKVVNPJ-UHFFFAOYSA-N
XLogP1.46
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(thian-4-ylcarbamoyl)furan-2-carboxylic acid
CID 115923764
4-iodo-N-(thiolan-3-ylmethyl)benzamide
CID 107296392
phenyl N-(thiolan-3-ylmethyl)carbamate
CID 107298409
2-oxo-N-(thiolan-3-ylmethyl)-1H-pyridine-4-carboxamide
CID 107342929
2-bromo-N-(thiolan-3-ylmethyl)benzamide
CID 107296407
2-iodo-N-(thiolan-3-ylmethyl)benzamide
CID 107296385
4-(thiolan-3-ylmethylcarbamoyl)-1H-imidazole-5-carboxylic acid
CID 107295054
5-[(thiolan-3-ylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 107297439
N-[[(3R)-thiolan-3-yl]methyl]-2-(trifluoromethyl)benzamide
CID 129479833
1-methyl-N-(thiolan-3-ylmethyl)pyrazole-3-carboxamide
CID 146126965
1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 107296095
5-amino-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107294726

Frequently Asked Questions

What is the IUPAC name of 5-(thiolan-3-ylmethylcarbamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-(thiolan-3-ylmethylcarbamoyl)furan-2-carboxylic acid (CID 107297808) is 5-(thiolan-3-ylmethylcarbamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(thiolan-3-ylmethylcarbamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(thiolan-3-ylmethylcarbamoyl)furan-2-carboxylic acid is O=C(O)c1ccc(C(=O)NCC2CCSC2)o1.
What is the InChIKey of 5-(thiolan-3-ylmethylcarbamoyl)furan-2-carboxylic acid?
The InChIKey is KYEOBSHDKVVNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c13-10(12-5-7-3-4-17-6-7)8-1-2-9(16-8)11(14)15/h1-2,7H,3-6H2,(H,12,13)(H,14,15).
What are the key properties of 5-(thiolan-3-ylmethylcarbamoyl)furan-2-carboxylic acid?
5-(thiolan-3-ylmethylcarbamoyl)furan-2-carboxylic acid has a molecular weight of 255.29 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiolan-3-ylmethylcarbamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 107297808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).