2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylsulfanylbutanoic acid

C11H22N2O5S2 — CID 43361262

IUPAC2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
SMILESCSCCC(NS(=O)(=O)N1CC(C)OC(C)C1)C(=O)O
InChIInChI=1S/C11H22N2O5S2/c1-8-6-13(7-9(2)18-8)20(16,17)12-10(11(14)15)4-5-19-3/h8-10,12H,4-7H2,1-3H3,(H,14,15)
InChIKeyVDXXHXVOXDZBKR-UHFFFAOYSA-N
MW326.44 g/mol
LogP0.14
Rot. Bonds7

About 2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylsulfanylbutanoic acid

2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylsulfanylbutanoic acid (PubChem CID 43361262) has the molecular formula C11H22N2O5S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
PubChem CID43361262
Molecular FormulaC11H22N2O5S2
Molecular Weight326.44 g/mol
Exact Mass326.10
IUPAC Name2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
SMILESCSCCC(NS(=O)(=O)N1CC(C)OC(C)C1)C(=O)O
InChIInChI=1S/C11H22N2O5S2/c1-8-6-13(7-9(2)18-8)20(16,17)12-10(11(14)15)4-5-19-3/h8-10,12H,4-7H2,1-3H3,(H,14,15)
InChIKeyVDXXHXVOXDZBKR-UHFFFAOYSA-N
XLogP0.14
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylsulfanylbutanoic acid?
The IUPAC name of 2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylsulfanylbutanoic acid (CID 43361262) is 2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylsulfanylbutanoic acid.
What is the SMILES notation for 2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylsulfanylbutanoic acid?
The canonical SMILES for 2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylsulfanylbutanoic acid is CSCCC(NS(=O)(=O)N1CC(C)OC(C)C1)C(=O)O.
What is the InChIKey of 2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylsulfanylbutanoic acid?
The InChIKey is VDXXHXVOXDZBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S2/c1-8-6-13(7-9(2)18-8)20(16,17)12-10(11(14)15)4-5-19-3/h8-10,12H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylsulfanylbutanoic acid?
2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylsulfanylbutanoic acid has a molecular weight of 326.44 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 43361262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).