6-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]pyridine-3-carboxylic acid

C13H21N3O4S — CID 63872779

IUPAC6-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]pyridine-3-carboxylic acid
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C13H21N3O4S/c1-13(2,9-16(3)4)8-15-21(19,20)11-6-5-10(7-14-11)12(17)18/h5-7,15H,8-9H2,1-4H3,(H,17,18)
InChIKeyPUMZZKDVZOSEPP-UHFFFAOYSA-N
MW315.39 g/mol
LogP0.65
Rot. Bonds7

About 6-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]pyridine-3-carboxylic acid

6-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 63872779) has the molecular formula C13H21N3O4S and a molecular weight of 315.39 g/mol. Its IUPAC name is 6-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]pyridine-3-carboxylic acid
PubChem CID63872779
Molecular FormulaC13H21N3O4S
Molecular Weight315.39 g/mol
Exact Mass315.13
IUPAC Name6-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]pyridine-3-carboxylic acid
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C13H21N3O4S/c1-13(2,9-16(3)4)8-15-21(19,20)11-6-5-10(7-14-11)12(17)18/h5-7,15H,8-9H2,1-4H3,(H,17,18)
InChIKeyPUMZZKDVZOSEPP-UHFFFAOYSA-N
XLogP0.65
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]pyridine-3-carboxylic acid (CID 63872779) is 6-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]pyridine-3-carboxylic acid is CN(C)CC(C)(C)CNS(=O)(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is PUMZZKDVZOSEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-13(2,9-16(3)4)8-15-21(19,20)11-6-5-10(7-14-11)12(17)18/h5-7,15H,8-9H2,1-4H3,(H,17,18).
What are the key properties of 6-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]pyridine-3-carboxylic acid?
6-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 315.39 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63872779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).