5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-carboxylic acid

C10H13NO5S — CID 55053671

IUPAC5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CN2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C10H13NO5S/c12-10(13)8-5-9(16-7-8)6-11-1-3-17(14,15)4-2-11/h5,7H,1-4,6H2,(H,12,13)
InChIKeyBBGAWQFVMZLBRR-UHFFFAOYSA-N
MW259.28 g/mol
LogP0.21
Rot. Bonds3

About 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-carboxylic acid

5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-carboxylic acid (PubChem CID 55053671) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-carboxylic acid
PubChem CID55053671
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Name5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CN2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C10H13NO5S/c12-10(13)8-5-9(16-7-8)6-11-1-3-17(14,15)4-2-11/h5,7H,1-4,6H2,(H,12,13)
InChIKeyBBGAWQFVMZLBRR-UHFFFAOYSA-N
XLogP0.21
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-carboxylic acid with MolForge

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Related Compounds

5-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid
CID 62267284
5-(1,4-diazepan-1-ylmethyl)furan-3-carboxylic acid
CID 62267643
N-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62432892
5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid
CID 112626150
5-[(3,4-dimethylpiperazin-1-yl)methyl]furan-3-carboxylic acid
CID 63608514
5-[[(1,1-dioxothian-4-yl)amino]methyl]furan-3-carboxylic acid
CID 104608237
[5-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]furan-3-yl]methanamine
CID 114083767
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid
CID 43581655
5-(hydroxymethyl)furan-3-carboxylic acid
CID 15422126
5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid
CID 64598988
5-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid
CID 106318966
5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]furan-3-carbohydrazide
CID 63584824

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-carboxylic acid (CID 55053671) is 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-carboxylic acid is O=C(O)c1coc(CN2CCS(=O)(=O)CC2)c1.
What is the InChIKey of 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-carboxylic acid?
The InChIKey is BBGAWQFVMZLBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c12-10(13)8-5-9(16-7-8)6-11-1-3-17(14,15)4-2-11/h5,7H,1-4,6H2,(H,12,13).
What are the key properties of 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-carboxylic acid?
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-carboxylic acid has a molecular weight of 259.28 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 55053671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).