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

C12H17N3O5S — CID 63652537

IUPAC2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCC1CN(S(=O)(=O)Nc2ncccc2C(=O)O)CC(C)O1
InChIInChI=1S/C12H17N3O5S/c1-8-6-15(7-9(2)20-8)21(18,19)14-11-10(12(16)17)4-3-5-13-11/h3-5,8-9H,6-7H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyVVBVGIIZNRWPQX-UHFFFAOYSA-N
MW315.35 g/mol
LogP0.55
Rot. Bonds4

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

2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]pyridine-3-carboxylic acid (PubChem CID 63652537) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]pyridine-3-carboxylic acid
PubChem CID63652537
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCC1CN(S(=O)(=O)Nc2ncccc2C(=O)O)CC(C)O1
InChIInChI=1S/C12H17N3O5S/c1-8-6-15(7-9(2)20-8)21(18,19)14-11-10(12(16)17)4-3-5-13-11/h3-5,8-9H,6-7H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyVVBVGIIZNRWPQX-UHFFFAOYSA-N
XLogP0.55
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(piperidin-1-ylsulfonylamino)pyridine-3-carboxylic acid
CID 63654456
2-[(1-methylazetidin-3-yl)amino]pyridine-3-carboxylic acid
CID 131019802
2-[[methyl(propan-2-yl)sulfamoyl]amino]pyridine-3-carboxylic acid
CID 55245219
2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654103
(2R,6R)-2,6-dimethyl-N-[(R)-phenyl(pyridin-2-yl)methyl]morpholine-4-sulfonamide
CID 98690603
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 95337073
2-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654101
2,6-dimethyl-N-[4-(methylamino)phenyl]morpholine-4-sulfonamide
CID 43604137
2-(oxolan-2-ylmethylsulfonylamino)pyridine-3-carboxylic acid
CID 63654102
(2,6-dimethylmorpholin-4-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 134016503
3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid
CID 114915204
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-methyl-2-pyridinyl)urea
CID 94054024

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]pyridine-3-carboxylic acid (CID 63652537) is 2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]pyridine-3-carboxylic acid is CC1CN(S(=O)(=O)Nc2ncccc2C(=O)O)CC(C)O1.
What is the InChIKey of 2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]pyridine-3-carboxylic acid?
The InChIKey is VVBVGIIZNRWPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-8-6-15(7-9(2)20-8)21(18,19)14-11-10(12(16)17)4-3-5-13-11/h3-5,8-9H,6-7H2,1-2H3,(H,13,14)(H,16,17).
What are the key properties of 2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]pyridine-3-carboxylic acid?
2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]pyridine-3-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of 0.55, 4 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]pyridine-3-carboxylic acid is sourced from PubChem (CID 63652537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).