4-(5-methylsulfanylfuran-2-carbonyl)morpholine-3-carboxylic acid

C11H13NO5S — CID 119215960

IUPAC4-(5-methylsulfanylfuran-2-carbonyl)morpholine-3-carboxylic acid
SMILESCSc1ccc(C(=O)N2CCOCC2C(=O)O)o1
InChIInChI=1S/C11H13NO5S/c1-18-9-3-2-8(17-9)10(13)12-4-5-16-6-7(12)11(14)15/h2-3,7H,4-6H2,1H3,(H,14,15)
InChIKeyQSFCEUZIKUWERS-UHFFFAOYSA-N
MW271.29 g/mol
LogP0.93
Rot. Bonds3

About 4-(5-methylsulfanylfuran-2-carbonyl)morpholine-3-carboxylic acid

4-(5-methylsulfanylfuran-2-carbonyl)morpholine-3-carboxylic acid (PubChem CID 119215960) has the molecular formula C11H13NO5S and a molecular weight of 271.29 g/mol. Its IUPAC name is 4-(5-methylsulfanylfuran-2-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(5-methylsulfanylfuran-2-carbonyl)morpholine-3-carboxylic acid
PubChem CID119215960
Molecular FormulaC11H13NO5S
Molecular Weight271.29 g/mol
Exact Mass271.05
IUPAC Name4-(5-methylsulfanylfuran-2-carbonyl)morpholine-3-carboxylic acid
SMILESCSc1ccc(C(=O)N2CCOCC2C(=O)O)o1
InChIInChI=1S/C11H13NO5S/c1-18-9-3-2-8(17-9)10(13)12-4-5-16-6-7(12)11(14)15/h2-3,7H,4-6H2,1H3,(H,14,15)
InChIKeyQSFCEUZIKUWERS-UHFFFAOYSA-N
XLogP0.93
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-4-[4-(methylsulfanylmethyl)benzoyl]morpholine-3-carboxylic acid
CID 124513267
6-methyl-1-(5-methylsulfanylfuran-2-carbonyl)piperidine-3-carboxylic acid
CID 122113590
(3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid
CID 124513507
(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 124513224
(3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid
CID 124513696
(3S)-4-(3-methylthiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513592
(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
CID 124596295
4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylic acid
CID 107013662
4-(3,5-dihydroxybenzoyl)morpholine-3-carboxylic acid
CID 107702659
(3S)-4-[2-(3,4-difluorophenyl)acetyl]morpholine-3-carboxylic acid
CID 124517346
(3S)-4-(5-chlorothiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513737
4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 115730889

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylsulfanylfuran-2-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(5-methylsulfanylfuran-2-carbonyl)morpholine-3-carboxylic acid (CID 119215960) is 4-(5-methylsulfanylfuran-2-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(5-methylsulfanylfuran-2-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(5-methylsulfanylfuran-2-carbonyl)morpholine-3-carboxylic acid is CSc1ccc(C(=O)N2CCOCC2C(=O)O)o1.
What is the InChIKey of 4-(5-methylsulfanylfuran-2-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is QSFCEUZIKUWERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5S/c1-18-9-3-2-8(17-9)10(13)12-4-5-16-6-7(12)11(14)15/h2-3,7H,4-6H2,1H3,(H,14,15).
What are the key properties of 4-(5-methylsulfanylfuran-2-carbonyl)morpholine-3-carboxylic acid?
4-(5-methylsulfanylfuran-2-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 271.29 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylsulfanylfuran-2-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 119215960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).