2-[4-[5-(methylsulfamoyl)furan-2-carbonyl]thiomorpholin-3-yl]acetic acid

C12H16N2O6S2 — CID 119210796

IUPAC2-[4-[5-(methylsulfamoyl)furan-2-carbonyl]thiomorpholin-3-yl]acetic acid
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCSCC2CC(=O)O)o1
InChIInChI=1S/C12H16N2O6S2/c1-13-22(18,19)11-3-2-9(20-11)12(17)14-4-5-21-7-8(14)6-10(15)16/h2-3,8,13H,4-7H2,1H3,(H,15,16)
InChIKeyXBRDGSGPIABJBX-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.22
Rot. Bonds5

About 2-[4-[5-(methylsulfamoyl)furan-2-carbonyl]thiomorpholin-3-yl]acetic acid

2-[4-[5-(methylsulfamoyl)furan-2-carbonyl]thiomorpholin-3-yl]acetic acid (PubChem CID 119210796) has the molecular formula C12H16N2O6S2 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[4-[5-(methylsulfamoyl)furan-2-carbonyl]thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[5-(methylsulfamoyl)furan-2-carbonyl]thiomorpholin-3-yl]acetic acid
PubChem CID119210796
Molecular FormulaC12H16N2O6S2
Molecular Weight348.40 g/mol
Exact Mass348.04
IUPAC Name2-[4-[5-(methylsulfamoyl)furan-2-carbonyl]thiomorpholin-3-yl]acetic acid
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCSCC2CC(=O)O)o1
InChIInChI=1S/C12H16N2O6S2/c1-13-22(18,19)11-3-2-9(20-11)12(17)14-4-5-21-7-8(14)6-10(15)16/h2-3,8,13H,4-7H2,1H3,(H,15,16)
InChIKeyXBRDGSGPIABJBX-UHFFFAOYSA-N
XLogP0.22
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-5-(2-propan-2-ylpyrrolidine-1-carbonyl)furan-2-sulfonamide
CID 47416164
2-[4-(5-chlorothiophene-2-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66444651
2-[4-(4-chloro-2-fluorobenzoyl)thiomorpholin-3-yl]acetic acid
CID 66445815
2-[4-[3-(cyclopropylmethylsulfamoyl)benzoyl]thiomorpholin-3-yl]acetic acid
CID 119210899
2-[4-(3,4-dichlorobenzoyl)thiomorpholin-3-yl]acetic acid
CID 66445224
2-[4-[3-(4-ethylsulfonylphenyl)propanoyl]thiomorpholin-3-yl]acetic acid
CID 120520746
2-[4-(pyridazine-4-carbonyl)thiomorpholin-3-yl]acetic acid
CID 113352819
2-[4-(1,3-dimethylpyrazole-4-carbonyl)thiomorpholin-3-yl]acetic acid
CID 113263241
2-[4-(2-chloro-5-hydroxybenzoyl)thiomorpholin-3-yl]acetic acid
CID 106500352
2-[4-[(2,4-dichlorophenyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66443337
2-[4-[4-(3,3,3-trifluoropropyl)benzoyl]thiomorpholin-3-yl]acetic acid
CID 120520719
5-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 119437647

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(methylsulfamoyl)furan-2-carbonyl]thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[5-(methylsulfamoyl)furan-2-carbonyl]thiomorpholin-3-yl]acetic acid (CID 119210796) is 2-[4-[5-(methylsulfamoyl)furan-2-carbonyl]thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[5-(methylsulfamoyl)furan-2-carbonyl]thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[5-(methylsulfamoyl)furan-2-carbonyl]thiomorpholin-3-yl]acetic acid is CNS(=O)(=O)c1ccc(C(=O)N2CCSCC2CC(=O)O)o1.
What is the InChIKey of 2-[4-[5-(methylsulfamoyl)furan-2-carbonyl]thiomorpholin-3-yl]acetic acid?
The InChIKey is XBRDGSGPIABJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6S2/c1-13-22(18,19)11-3-2-9(20-11)12(17)14-4-5-21-7-8(14)6-10(15)16/h2-3,8,13H,4-7H2,1H3,(H,15,16).
What are the key properties of 2-[4-[5-(methylsulfamoyl)furan-2-carbonyl]thiomorpholin-3-yl]acetic acid?
2-[4-[5-(methylsulfamoyl)furan-2-carbonyl]thiomorpholin-3-yl]acetic acid has a molecular weight of 348.40 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(methylsulfamoyl)furan-2-carbonyl]thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 119210796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).