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

C12H24N2O5S — CID 43470083

IUPAC2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]hexanoic acid
SMILESCCCCC(NS(=O)(=O)N1CC(C)OC(C)C1)C(=O)O
InChIInChI=1S/C12H24N2O5S/c1-4-5-6-11(12(15)16)13-20(17,18)14-7-9(2)19-10(3)8-14/h9-11,13H,4-8H2,1-3H3,(H,15,16)
InChIKeyFJPJIRFBOLILDD-UHFFFAOYSA-N
MW308.40 g/mol
LogP0.57
Rot. Bonds7

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

2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]hexanoic acid (PubChem CID 43470083) has the molecular formula C12H24N2O5S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]hexanoic acid
PubChem CID43470083
Molecular FormulaC12H24N2O5S
Molecular Weight308.40 g/mol
Exact Mass308.14
IUPAC Name2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]hexanoic acid
SMILESCCCCC(NS(=O)(=O)N1CC(C)OC(C)C1)C(=O)O
InChIInChI=1S/C12H24N2O5S/c1-4-5-6-11(12(15)16)13-20(17,18)14-7-9(2)19-10(3)8-14/h9-11,13H,4-8H2,1-3H3,(H,15,16)
InChIKeyFJPJIRFBOLILDD-UHFFFAOYSA-N
XLogP0.57
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 43361262
2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
CID 43631191
(2R)-2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid
CID 79010860
N-(1-hydroxybutan-2-yl)-2,6-dimethylmorpholine-4-sulfonamide
CID 43501588
4-methylsulfonyl-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 43110816
4-methylsulfonyl-2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 43094874
(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylamino]-2-phenylacetamide
CID 100851411
2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 43470011
(2S)-4-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 104934949
2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 43470014
2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]pentanoic acid
CID 43631730
N-(2-hydroxy-1-phenylethyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 63182703

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]hexanoic acid?
The IUPAC name of 2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]hexanoic acid (CID 43470083) is 2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]hexanoic acid?
The canonical SMILES for 2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]hexanoic acid is CCCCC(NS(=O)(=O)N1CC(C)OC(C)C1)C(=O)O.
What is the InChIKey of 2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]hexanoic acid?
The InChIKey is FJPJIRFBOLILDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5S/c1-4-5-6-11(12(15)16)13-20(17,18)14-7-9(2)19-10(3)8-14/h9-11,13H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]hexanoic acid?
2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]hexanoic acid has a molecular weight of 308.40 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 43470083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).