3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid

C11H22N2O5S — CID 64671370

IUPAC3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid
SMILESCC1CN(S(=O)(=O)NC(C)(C)CC(=O)O)CC(C)O1
InChIInChI=1S/C11H22N2O5S/c1-8-6-13(7-9(2)18-8)19(16,17)12-11(3,4)5-10(14)15/h8-9,12H,5-7H2,1-4H3,(H,14,15)
InChIKeyIINAVFGQLSHQII-UHFFFAOYSA-N
MW294.37 g/mol
LogP0.18
Rot. Bonds5

About 3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid

3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid (PubChem CID 64671370) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is 3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid
PubChem CID64671370
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid
SMILESCC1CN(S(=O)(=O)NC(C)(C)CC(=O)O)CC(C)O1
InChIInChI=1S/C11H22N2O5S/c1-8-6-13(7-9(2)18-8)19(16,17)12-11(3,4)5-10(14)15/h8-9,12H,5-7H2,1-4H3,(H,14,15)
InChIKeyIINAVFGQLSHQII-UHFFFAOYSA-N
XLogP0.18
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid?
The IUPAC name of 3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid (CID 64671370) is 3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid?
The canonical SMILES for 3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid is CC1CN(S(=O)(=O)NC(C)(C)CC(=O)O)CC(C)O1.
What is the InChIKey of 3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid?
The InChIKey is IINAVFGQLSHQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-8-6-13(7-9(2)18-8)19(16,17)12-11(3,4)5-10(14)15/h8-9,12H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid?
3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid has a molecular weight of 294.37 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid is sourced from PubChem (CID 64671370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).