6-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-3-carboxylic acid

C12H19N3O4S — CID 63872994

IUPAC6-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-3-carboxylic acid
SMILESCN(C)CCCN(C)S(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H19N3O4S/c1-14(2)7-4-8-15(3)20(18,19)11-6-5-10(9-13-11)12(16)17/h5-6,9H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyAERSYMVTJHTKNZ-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.35
Rot. Bonds7

About 6-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-3-carboxylic acid

6-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-3-carboxylic acid (PubChem CID 63872994) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-3-carboxylic acid
PubChem CID63872994
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name6-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-3-carboxylic acid
SMILESCN(C)CCCN(C)S(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H19N3O4S/c1-14(2)7-4-8-15(3)20(18,19)11-6-5-10(9-13-11)12(16)17/h5-6,9H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyAERSYMVTJHTKNZ-UHFFFAOYSA-N
XLogP0.35
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-3-carboxylic acid (CID 63872994) is 6-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-3-carboxylic acid is CN(C)CCCN(C)S(=O)(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is AERSYMVTJHTKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-14(2)7-4-8-15(3)20(18,19)11-6-5-10(9-13-11)12(16)17/h5-6,9H,4,7-8H2,1-3H3,(H,16,17).
What are the key properties of 6-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-3-carboxylic acid?
6-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 301.37 g/mol, XLogP of 0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63872994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).