5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid

C11H15NO5S — CID 102884412

IUPAC5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid
SMILESCC1CS(=O)(=O)CCN1Cc1ccc(C(=O)O)o1
InChIInChI=1S/C11H15NO5S/c1-8-7-18(15,16)5-4-12(8)6-9-2-3-10(17-9)11(13)14/h2-3,8H,4-7H2,1H3,(H,13,14)
InChIKeyMGUOYFNFTJKYCV-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.60
Rot. Bonds3

About 5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid

5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid (PubChem CID 102884412) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid
PubChem CID102884412
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid
SMILESCC1CS(=O)(=O)CCN1Cc1ccc(C(=O)O)o1
InChIInChI=1S/C11H15NO5S/c1-8-7-18(15,16)5-4-12(8)6-9-2-3-10(17-9)11(13)14/h2-3,8H,4-7H2,1H3,(H,13,14)
InChIKeyMGUOYFNFTJKYCV-UHFFFAOYSA-N
XLogP0.60
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid
CID 42233591
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid
CID 43581655
5-[(2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid;hydrochloride
CID 171134030
2-[4-[(5-methylfuran-2-yl)methyl]-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 80519616
2-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]propanoic acid
CID 102884376
2-iodo-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline
CID 112751047
3-fluoro-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzoic acid
CID 102887157
N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine
CID 102886841
N-methyl-1-[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methanamine
CID 102886883
4-[(3,6-dichloro-2-pyridinyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 113461629
5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carboxylic acid
CID 61423944
[5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]hydrazine
CID 102886414

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid (CID 102884412) is 5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid is CC1CS(=O)(=O)CCN1Cc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid?
The InChIKey is MGUOYFNFTJKYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-8-7-18(15,16)5-4-12(8)6-9-2-3-10(17-9)11(13)14/h2-3,8H,4-7H2,1H3,(H,13,14).
What are the key properties of 5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid?
5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 102884412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).