(2R,3S)-2-methyl-4-(4-methylfuran-2-yl)sulfonylmorpholine-3-carboxylic acid

C11H15NO6S — CID 166266202

IUPAC(2R,3S)-2-methyl-4-(4-methylfuran-2-yl)sulfonylmorpholine-3-carboxylic acid
SMILESCc1coc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)O)c1
InChIInChI=1S/C11H15NO6S/c1-7-5-9(18-6-7)19(15,16)12-3-4-17-8(2)10(12)11(13)14/h5-6,8,10H,3-4H2,1-2H3,(H,13,14)/t8-,10+/m1/s1
InChIKeyGLSQWYPQWFXGTQ-SCZZXKLOSA-N
MW289.31 g/mol
LogP0.45
Rot. Bonds3

About (2R,3S)-2-methyl-4-(4-methylfuran-2-yl)sulfonylmorpholine-3-carboxylic acid

(2R,3S)-2-methyl-4-(4-methylfuran-2-yl)sulfonylmorpholine-3-carboxylic acid (PubChem CID 166266202) has the molecular formula C11H15NO6S and a molecular weight of 289.31 g/mol. Its IUPAC name is (2R,3S)-2-methyl-4-(4-methylfuran-2-yl)sulfonylmorpholine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-2-methyl-4-(4-methylfuran-2-yl)sulfonylmorpholine-3-carboxylic acid
PubChem CID166266202
Molecular FormulaC11H15NO6S
Molecular Weight289.31 g/mol
Exact Mass289.06
IUPAC Name(2R,3S)-2-methyl-4-(4-methylfuran-2-yl)sulfonylmorpholine-3-carboxylic acid
SMILESCc1coc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)O)c1
InChIInChI=1S/C11H15NO6S/c1-7-5-9(18-6-7)19(15,16)12-3-4-17-8(2)10(12)11(13)14/h5-6,8,10H,3-4H2,1-2H3,(H,13,14)/t8-,10+/m1/s1
InChIKeyGLSQWYPQWFXGTQ-SCZZXKLOSA-N
XLogP0.45
TPSA97.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-4-(4-methylfuran-2-yl)sulfonylmorpholine-3-carboxylic acid?
The IUPAC name of (2R,3S)-2-methyl-4-(4-methylfuran-2-yl)sulfonylmorpholine-3-carboxylic acid (CID 166266202) is (2R,3S)-2-methyl-4-(4-methylfuran-2-yl)sulfonylmorpholine-3-carboxylic acid.
What is the SMILES notation for (2R,3S)-2-methyl-4-(4-methylfuran-2-yl)sulfonylmorpholine-3-carboxylic acid?
The canonical SMILES for (2R,3S)-2-methyl-4-(4-methylfuran-2-yl)sulfonylmorpholine-3-carboxylic acid is Cc1coc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)O)c1.
What is the InChIKey of (2R,3S)-2-methyl-4-(4-methylfuran-2-yl)sulfonylmorpholine-3-carboxylic acid?
The InChIKey is GLSQWYPQWFXGTQ-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H15NO6S/c1-7-5-9(18-6-7)19(15,16)12-3-4-17-8(2)10(12)11(13)14/h5-6,8,10H,3-4H2,1-2H3,(H,13,14)/t8-,10+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-4-(4-methylfuran-2-yl)sulfonylmorpholine-3-carboxylic acid?
(2R,3S)-2-methyl-4-(4-methylfuran-2-yl)sulfonylmorpholine-3-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-4-(4-methylfuran-2-yl)sulfonylmorpholine-3-carboxylic acid is sourced from PubChem (CID 166266202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).